NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
1182 | 1ab7 | cing | recoord | dress | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 2H LYS 1 -8.683 5.670 8.638 2 2H LYS 1 1H LYS 1 -8.468 4.540 7.387 3 3H LYS 1 3H LYS 1 -9.464 4.163 8.707 4 HA LYS 1 HA LYS 1 -7.593 4.153 10.197 5 1HB LYS 1 2HB LYS 1 -8.142 2.274 8.227 6 2HB LYS 1 1HB LYS 1 -6.401 2.521 8.079 7 1HG LYS 1 2HG LYS 1 -6.028 1.353 9.964 8 2HG LYS 1 1HG LYS 1 -7.127 2.396 10.867 9 1HD LYS 1 2HD LYS 1 -8.793 0.797 9.271 10 2HD LYS 1 1HD LYS 1 -7.560 -0.302 9.890 11 1HE LYS 1 2HE LYS 1 -8.922 1.660 11.726 12 2HE LYS 1 1HE LYS 1 -9.679 0.114 11.344 13 1HZ LYS 1 3HZ LYS 1 -6.886 -0.065 12.046 14 2HZ LYS 1 2HZ LYS 1 -7.882 0.495 13.304 15 3HZ LYS 1 1HZ LYS 1 -8.199 -1.003 12.568 16 H LYS 2 H LYS 2 -5.005 3.664 9.824 17 HA LYS 2 HA LYS 2 -3.966 5.859 8.092 18 1HB LYS 2 2HB LYS 2 -3.909 6.890 10.210 19 2HB LYS 2 1HB LYS 2 -3.468 5.393 11.029 20 1HG LYS 2 2HG LYS 2 -1.250 5.671 10.604 21 2HG LYS 2 1HG LYS 2 -1.542 6.277 8.974 22 1HD LYS 2 2HD LYS 2 -2.392 8.424 10.091 23 2HD LYS 2 1HD LYS 2 -1.669 7.805 11.577 24 1HE LYS 2 2HE LYS 2 0.416 7.433 9.928 25 2HE LYS 2 1HE LYS 2 -0.349 8.785 9.092 26 1HZ LYS 2 2HZ LYS 2 -0.472 9.759 11.484 27 2HZ LYS 2 1HZ LYS 2 0.805 8.679 11.789 28 3HZ LYS 2 3HZ LYS 2 0.970 9.870 10.593 29 H ALA 3 H ALA 3 -3.032 4.494 6.578 30 HA ALA 3 HA ALA 3 -1.381 2.220 7.455 31 1HB ALA 3 1HB ALA 3 -2.556 3.179 4.933 32 2HB ALA 3 3HB ALA 3 -0.922 2.541 4.751 33 3HB ALA 3 2HB ALA 3 -2.191 1.531 5.445 34 H VAL 4 H VAL 4 0.918 2.125 7.050 35 HA VAL 4 HA VAL 4 2.207 4.680 6.282 36 HB VAL 4 HB VAL 4 2.710 3.217 8.889 37 1HG1 VAL 4 2HG1 VAL 4 4.545 4.623 7.247 38 2HG1 VAL 4 1HG1 VAL 4 4.149 5.696 8.590 39 3HG1 VAL 4 3HG1 VAL 4 4.788 4.083 8.908 40 1HG2 VAL 4 3HG2 VAL 4 1.293 5.687 8.068 41 2HG2 VAL 4 2HG2 VAL 4 1.051 4.671 9.490 42 3HG2 VAL 4 1HG2 VAL 4 2.354 5.859 9.466 43 H ILE 5 H ILE 5 3.723 4.228 4.833 44 HA ILE 5 HA ILE 5 4.818 1.476 4.659 45 HB ILE 5 HB ILE 5 5.285 3.746 2.721 46 1HG1 ILE 5 2HG1 ILE 5 2.767 3.142 3.376 47 2HG1 ILE 5 1HG1 ILE 5 3.221 3.464 1.717 48 1HG2 ILE 5 3HG2 ILE 5 5.744 0.834 2.803 49 2HG2 ILE 5 2HG2 ILE 5 5.056 1.428 1.291 50 3HG2 ILE 5 1HG2 ILE 5 6.581 2.086 1.884 51 1HD1 ILE 5 3HD1 ILE 5 3.568 0.655 2.527 52 2HD1 ILE 5 2HD1 ILE 5 1.899 1.222 2.558 53 3HD1 ILE 5 1HD1 ILE 5 2.837 1.329 1.068 54 H ASN 6 H ASN 6 6.730 1.151 5.668 55 HA ASN 6 HA ASN 6 8.542 3.495 6.011 56 1HB ASN 6 2HB ASN 6 8.953 0.963 7.541 57 2HB ASN 6 1HB ASN 6 9.227 2.630 8.043 58 1HD2 ASN 6 2HD2 ASN 6 6.248 2.486 9.886 59 2HD2 ASN 6 1HD2 ASN 6 7.909 2.834 9.852 60 H GLY 7 H GLY 7 9.601 3.285 3.975 61 1HA GLY 7 2HA GLY 7 10.643 0.781 3.019 62 2HA GLY 7 1HA GLY 7 11.127 2.380 2.440 63 H GLU 8 H GLU 8 11.551 2.746 5.600 64 HA GLU 8 HA GLU 8 14.412 2.381 5.436 65 1HB GLU 8 2HB GLU 8 13.403 4.212 6.759 66 2HB GLU 8 1HB GLU 8 12.675 3.019 7.836 67 1HG GLU 8 2HG GLU 8 14.567 3.068 9.055 68 2HG GLU 8 1HG GLU 8 15.398 2.326 7.687 69 H GLN 9 H GLN 9 11.791 0.415 6.336 70 HA GLN 9 HA GLN 9 13.656 -1.544 7.607 71 1HB GLN 9 2HB GLN 9 11.896 -0.642 9.151 72 2HB GLN 9 1HB GLN 9 10.672 -1.298 8.064 73 1HG GLN 9 2HG GLN 9 11.518 -3.560 8.408 74 2HG GLN 9 1HG GLN 9 12.839 -2.944 9.402 75 1HE2 GLN 9 2HE2 GLN 9 10.816 -2.491 12.291 76 2HE2 GLN 9 1HE2 GLN 9 12.310 -2.145 11.564 77 H ILE 10 H ILE 10 11.371 -0.919 5.130 78 HA ILE 10 HA ILE 10 10.609 -3.598 4.478 79 HB ILE 10 HB ILE 10 10.927 -1.174 2.686 80 1HG1 ILE 10 2HG1 ILE 10 9.287 -1.163 4.691 81 2HG1 ILE 10 1HG1 ILE 10 8.642 -0.732 3.110 82 1HG2 ILE 10 1HG2 ILE 10 9.753 -3.918 2.233 83 2HG2 ILE 10 3HG2 ILE 10 9.213 -2.523 1.297 84 3HG2 ILE 10 2HG2 ILE 10 10.900 -3.033 1.226 85 1HD1 ILE 10 2HD1 ILE 10 8.525 -3.598 3.505 86 2HD1 ILE 10 1HD1 ILE 10 7.714 -2.759 4.827 87 3HD1 ILE 10 3HD1 ILE 10 7.218 -2.468 3.162 88 H ARG 11 H ARG 11 12.181 -5.115 4.230 89 HA ARG 11 HA ARG 11 14.801 -4.524 3.102 90 1HB ARG 11 2HB ARG 11 13.849 -7.333 3.000 91 2HB ARG 11 1HB ARG 11 15.342 -6.677 3.676 92 1HG ARG 11 2HG ARG 11 13.884 -5.718 5.555 93 2HG ARG 11 1HG ARG 11 12.607 -6.773 4.941 94 1HD ARG 11 2HD ARG 11 13.645 -8.680 5.671 95 2HD ARG 11 1HD ARG 11 15.259 -8.046 5.351 96 HE ARG 11 HE ARG 11 13.644 -7.295 7.756 97 1HH1 ARG 11 1HH2 ARG 11 16.510 -6.756 6.068 98 2HH1 ARG 11 2HH2 ARG 11 17.553 -6.954 7.436 99 1HH2 ARG 11 2HH1 ARG 11 15.021 -8.035 9.545 100 2HH2 ARG 11 1HH1 ARG 11 16.710 -7.678 9.405 101 H SER 12 H SER 12 11.844 -6.067 1.979 102 HA SER 12 HA SER 12 12.520 -5.346 -0.809 103 1HB SER 12 2HB SER 12 12.990 -7.959 0.153 104 2HB SER 12 1HB SER 12 11.488 -8.055 -0.763 105 HG SER 12 HG SER 12 13.832 -6.763 -1.705 106 H ILE 13 H ILE 13 10.484 -5.985 -2.227 107 HA ILE 13 HA ILE 13 8.218 -4.695 -1.161 108 HB ILE 13 HB ILE 13 8.589 -5.260 -3.593 109 1HG1 ILE 13 2HG1 ILE 13 6.068 -5.955 -3.871 110 2HG1 ILE 13 1HG1 ILE 13 6.024 -5.726 -2.123 111 1HG2 ILE 13 1HG2 ILE 13 7.567 -7.956 -2.659 112 2HG2 ILE 13 3HG2 ILE 13 7.772 -7.477 -4.344 113 3HG2 ILE 13 2HG2 ILE 13 9.180 -7.628 -3.293 114 1HD1 ILE 13 2HD1 ILE 13 7.077 -3.648 -4.056 115 2HD1 ILE 13 1HD1 ILE 13 5.426 -3.662 -3.435 116 3HD1 ILE 13 3HD1 ILE 13 6.782 -3.445 -2.330 117 H SER 14 H SER 14 9.396 -7.894 -0.602 118 HA SER 14 HA SER 14 7.025 -9.261 0.105 119 1HB SER 14 2HB SER 14 8.996 -10.565 0.089 120 2HB SER 14 1HB SER 14 9.865 -9.424 1.112 121 HG SER 14 HG SER 14 7.763 -11.193 1.810 122 H ASP 15 H ASP 15 9.111 -7.161 2.108 123 HA ASP 15 HA ASP 15 7.429 -7.375 4.442 124 1HB ASP 15 2HB ASP 15 9.869 -5.975 3.638 125 2HB ASP 15 1HB ASP 15 8.845 -4.997 4.681 126 H LEU 16 H LEU 16 7.332 -5.551 1.550 127 HA LEU 16 HA LEU 16 5.763 -3.310 2.463 128 1HB LEU 16 2HB LEU 16 7.007 -3.454 0.266 129 2HB LEU 16 1HB LEU 16 5.759 -4.559 -0.295 130 HG LEU 16 HG LEU 16 4.327 -2.860 -0.730 131 1HD1 LEU 16 1HD1 LEU 16 5.154 -1.655 1.929 132 2HD1 LEU 16 3HD1 LEU 16 3.941 -0.947 0.862 133 3HD1 LEU 16 2HD1 LEU 16 3.666 -2.534 1.578 134 1HD2 LEU 16 2HD2 LEU 16 6.806 -1.975 -1.187 135 2HD2 LEU 16 1HD2 LEU 16 5.387 -0.966 -1.474 136 3HD2 LEU 16 3HD2 LEU 16 6.317 -0.782 0.014 137 H HIS 17 H HIS 17 4.833 -6.278 0.699 138 HA HIS 17 HA HIS 17 2.057 -5.965 0.806 139 1HB HIS 17 2HB HIS 17 3.610 -8.536 1.144 140 2HB HIS 17 1HB HIS 17 1.958 -8.389 0.540 141 HD1 HIS 17 HD1 HIS 17 3.197 -9.686 -1.582 142 HD2 HIS 17 HD2 HIS 17 4.168 -5.667 -1.025 143 HE1 HIS 17 HE1 HIS 17 4.176 -8.872 -3.768 144 H GLN 18 H GLN 18 4.299 -6.855 3.294 145 HA GLN 18 HA GLN 18 2.250 -7.817 5.136 146 1HB GLN 18 2HB GLN 18 5.122 -7.041 5.698 147 2HB GLN 18 1HB GLN 18 4.069 -7.978 6.759 148 1HG GLN 18 2HG GLN 18 3.828 -9.518 4.613 149 2HG GLN 18 1HG GLN 18 5.379 -8.790 4.192 150 1HE2 GLN 18 2HE2 GLN 18 7.068 -10.253 7.052 151 2HE2 GLN 18 1HE2 GLN 18 7.036 -8.827 6.132 152 H THR 19 H THR 19 3.968 -4.844 4.553 153 HA THR 19 HA THR 19 3.072 -3.505 6.949 154 HB THR 19 HB THR 19 4.179 -2.498 4.324 155 HG1 THR 19 HG1 THR 19 5.377 -3.599 6.181 156 1HG2 THR 19 1HG2 THR 19 2.634 -1.029 6.224 157 2HG2 THR 19 3HG2 THR 19 4.313 -0.511 6.371 158 3HG2 THR 19 2HG2 THR 19 3.495 -0.417 4.811 159 H LEU 20 H LEU 20 1.809 -3.850 3.729 160 HA LEU 20 HA LEU 20 -0.403 -1.971 4.195 161 1HB LEU 20 2HB LEU 20 -0.440 -4.022 2.004 162 2HB LEU 20 1HB LEU 20 -1.026 -2.355 1.976 163 HG LEU 20 HG LEU 20 1.876 -3.172 2.101 164 1HD1 LEU 20 3HD1 LEU 20 0.042 -2.967 -0.104 165 2HD1 LEU 20 2HD1 LEU 20 1.295 -1.734 -0.252 166 3HD1 LEU 20 1HD1 LEU 20 1.742 -3.435 -0.122 167 1HD2 LEU 20 2HD2 LEU 20 0.968 -0.913 3.102 168 2HD2 LEU 20 1HD2 LEU 20 2.408 -0.898 2.084 169 3HD2 LEU 20 3HD2 LEU 20 0.845 -0.442 1.407 170 H LYS 21 H LYS 21 0.242 -5.406 4.169 171 HA LYS 21 HA LYS 21 -2.496 -6.241 4.631 172 1HB LYS 21 2HB LYS 21 -0.967 -7.873 3.768 173 2HB LYS 21 1HB LYS 21 0.185 -7.572 5.074 174 1HG LYS 21 2HG LYS 21 -0.977 -8.856 6.566 175 2HG LYS 21 1HG LYS 21 -2.543 -8.353 5.926 176 1HD LYS 21 2HD LYS 21 -2.610 -10.043 4.381 177 2HD LYS 21 1HD LYS 21 -0.864 -10.021 4.130 178 1HE LYS 21 2HE LYS 21 -1.533 -10.835 6.841 179 2HE LYS 21 1HE LYS 21 -2.294 -11.886 5.647 180 1HZ LYS 21 1HZ LYS 21 0.509 -11.143 5.248 181 2HZ LYS 21 3HZ LYS 21 0.156 -12.284 6.452 182 3HZ LYS 21 2HZ LYS 21 -0.300 -12.581 4.842 183 H LYS 22 H LYS 22 0.032 -4.931 6.591 184 HA LYS 22 HA LYS 22 -1.158 -5.878 9.116 185 1HB LYS 22 2HB LYS 22 1.182 -5.753 9.271 186 2HB LYS 22 1HB LYS 22 1.258 -4.243 8.366 187 1HG LYS 22 2HG LYS 22 0.302 -3.013 10.230 188 2HG LYS 22 1HG LYS 22 0.039 -4.508 11.130 189 1HD LYS 22 2HD LYS 22 2.814 -4.033 10.190 190 2HD LYS 22 1HD LYS 22 2.234 -2.957 11.462 191 1HE LYS 22 2HE LYS 22 1.458 -5.700 12.001 192 2HE LYS 22 1HE LYS 22 3.204 -5.571 11.794 193 1HZ LYS 22 3HZ LYS 22 2.944 -3.529 13.322 194 2HZ LYS 22 2HZ LYS 22 1.466 -4.242 13.764 195 3HZ LYS 22 1HZ LYS 22 2.924 -5.078 14.011 196 H GLU 23 H GLU 23 -0.741 -2.775 7.387 197 HA GLU 23 HA GLU 23 -2.241 -1.295 9.382 198 1HB GLU 23 2HB GLU 23 -1.464 -0.570 6.550 199 2HB GLU 23 1HB GLU 23 -2.153 0.550 7.726 200 1HG GLU 23 2HG GLU 23 0.264 -1.017 8.528 201 2HG GLU 23 1HG GLU 23 0.483 0.337 7.419 202 H LEU 24 H LEU 24 -2.930 -2.244 6.061 203 HA LEU 24 HA LEU 24 -5.678 -1.435 6.105 204 1HB LEU 24 2HB LEU 24 -4.562 -3.670 4.401 205 2HB LEU 24 1HB LEU 24 -5.890 -2.574 4.021 206 HG LEU 24 HG LEU 24 -3.117 -1.500 4.509 207 1HD1 LEU 24 3HD1 LEU 24 -4.196 -2.881 2.078 208 2HD1 LEU 24 2HD1 LEU 24 -3.074 -1.535 1.889 209 3HD1 LEU 24 1HD1 LEU 24 -2.586 -2.970 2.790 210 1HD2 LEU 24 2HD2 LEU 24 -5.478 -0.241 4.215 211 2HD2 LEU 24 1HD2 LEU 24 -3.960 0.443 3.641 212 3HD2 LEU 24 3HD2 LEU 24 -5.028 -0.396 2.516 213 H ALA 25 H ALA 25 -3.979 -4.238 7.257 214 HA ALA 25 HA ALA 25 -4.764 -5.996 8.609 215 1HB ALA 25 2HB ALA 25 -6.686 -3.942 8.900 216 2HB ALA 25 1HB ALA 25 -7.591 -5.428 8.611 217 3HB ALA 25 3HB ALA 25 -6.447 -5.339 9.951 218 H LEU 26 H LEU 26 -4.401 -6.552 5.989 219 HA LEU 26 HA LEU 26 -6.823 -7.621 4.759 220 1HB LEU 26 2HB LEU 26 -3.967 -8.247 3.971 221 2HB LEU 26 1HB LEU 26 -5.405 -8.257 2.948 222 HG LEU 26 HG LEU 26 -4.272 -5.789 4.290 223 1HD1 LEU 26 3HD1 LEU 26 -3.687 -7.128 1.751 224 2HD1 LEU 26 2HD1 LEU 26 -4.173 -5.446 1.545 225 3HD1 LEU 26 1HD1 LEU 26 -2.797 -5.847 2.575 226 1HD2 LEU 26 2HD2 LEU 26 -6.793 -6.433 2.937 227 2HD2 LEU 26 1HD2 LEU 26 -6.376 -5.030 3.923 228 3HD2 LEU 26 3HD2 LEU 26 -5.960 -5.058 2.209 229 HA PRO 27 HA PRO 27 -6.730 -11.655 6.444 230 1HB PRO 27 2HB PRO 27 -7.551 -13.152 4.293 231 2HB PRO 27 1HB PRO 27 -8.629 -12.090 5.220 232 1HG PRO 27 2HG PRO 27 -7.447 -11.669 2.516 233 2HG PRO 27 1HG PRO 27 -8.954 -11.028 3.190 234 1HD PRO 27 2HD PRO 27 -6.520 -9.623 2.916 235 2HD PRO 27 1HD PRO 27 -7.914 -9.106 3.890 236 H GLU 28 H GLU 28 -6.166 -14.099 5.400 237 HA GLU 28 HA GLU 28 -3.253 -14.046 5.178 238 1HB GLU 28 2HB GLU 28 -4.362 -15.777 6.514 239 2HB GLU 28 1HB GLU 28 -5.230 -16.343 5.085 240 1HG GLU 28 2HG GLU 28 -3.486 -17.773 4.832 241 2HG GLU 28 1HG GLU 28 -2.623 -16.366 4.211 242 H TYR 29 H TYR 29 -5.949 -15.078 3.064 243 HA TYR 29 HA TYR 29 -4.222 -15.905 0.918 244 1HB TYR 29 2HB TYR 29 -6.303 -15.813 -0.467 245 2HB TYR 29 1HB TYR 29 -6.485 -16.748 1.019 246 HD1 TYR 29 HD1 TYR 29 -6.835 -13.197 -0.176 247 HD2 TYR 29 HD2 TYR 29 -8.343 -16.336 2.343 248 HE1 TYR 29 HE1 TYR 29 -8.737 -11.751 0.491 249 HE2 TYR 29 HE2 TYR 29 -10.239 -14.884 3.017 250 HH TYR 29 HH TYR 29 -11.332 -12.462 1.478 251 H TYR 30 H TYR 30 -4.816 -12.856 2.105 252 HA TYR 30 HA TYR 30 -5.249 -10.997 0.201 253 1HB TYR 30 2HB TYR 30 -4.385 -10.367 2.381 254 2HB TYR 30 1HB TYR 30 -2.828 -11.110 2.024 255 HD1 TYR 30 HD1 TYR 30 -4.873 -9.105 -0.352 256 HD2 TYR 30 HD2 TYR 30 -1.418 -9.203 2.200 257 HE1 TYR 30 HE1 TYR 30 -4.085 -6.959 -1.330 258 HE2 TYR 30 HE2 TYR 30 -0.624 -7.073 1.217 259 HH TYR 30 HH TYR 30 -0.921 -5.618 -0.500 260 H GLY 31 H GLY 31 -4.750 -10.982 -1.929 261 1HA GLY 31 2HA GLY 31 -2.769 -12.547 -3.186 262 2HA GLY 31 1HA GLY 31 -3.485 -11.103 -3.907 263 H GLU 32 H GLU 32 -2.517 -9.389 -1.683 264 HA GLU 32 HA GLU 32 -0.608 -8.146 -1.127 265 1HB GLU 32 2HB GLU 32 0.995 -10.473 -2.205 266 2HB GLU 32 1HB GLU 32 1.503 -9.261 -1.030 267 1HG GLU 32 2HG GLU 32 0.658 -10.467 0.665 268 2HG GLU 32 1HG GLU 32 -0.919 -10.528 -0.122 269 H ASN 33 H ASN 33 -1.882 -7.794 -3.635 270 HA ASN 33 HA ASN 33 0.374 -6.616 -5.132 271 1HB ASN 33 2HB ASN 33 -0.907 -7.580 -7.267 272 2HB ASN 33 1HB ASN 33 0.347 -8.516 -6.455 273 1HD2 ASN 33 2HD2 ASN 33 -2.142 -11.069 -6.373 274 2HD2 ASN 33 1HD2 ASN 33 -0.733 -10.535 -7.156 275 H LEU 34 H LEU 34 -1.026 -5.722 -7.341 276 HA LEU 34 HA LEU 34 -2.679 -3.648 -6.145 277 1HB LEU 34 2HB LEU 34 -3.086 -3.101 -8.661 278 2HB LEU 34 1HB LEU 34 -1.464 -2.882 -8.003 279 HG LEU 34 HG LEU 34 -2.053 -5.592 -9.040 280 1HD1 LEU 34 1HD1 LEU 34 -3.165 -3.935 -10.657 281 2HD1 LEU 34 3HD1 LEU 34 -1.538 -3.344 -10.995 282 3HD1 LEU 34 2HD1 LEU 34 -1.959 -5.020 -11.349 283 1HD2 LEU 34 1HD2 LEU 34 0.161 -4.460 -8.163 284 2HD2 LEU 34 3HD2 LEU 34 0.227 -5.556 -9.544 285 3HD2 LEU 34 2HD2 LEU 34 0.244 -3.811 -9.801 286 H ASP 35 H ASP 35 -3.294 -6.790 -7.387 287 HA ASP 35 HA ASP 35 -6.061 -6.230 -8.148 288 1HB ASP 35 2HB ASP 35 -5.940 -8.946 -7.773 289 2HB ASP 35 1HB ASP 35 -5.656 -8.126 -9.302 290 H ALA 36 H ALA 36 -4.500 -8.061 -5.485 291 HA ALA 36 HA ALA 36 -7.027 -8.349 -4.083 292 1HB ALA 36 3HB ALA 36 -4.693 -9.697 -3.926 293 2HB ALA 36 2HB ALA 36 -4.490 -8.596 -2.564 294 3HB ALA 36 1HB ALA 36 -5.877 -9.686 -2.619 295 H LEU 37 H LEU 37 -4.340 -6.143 -3.998 296 HA LEU 37 HA LEU 37 -5.099 -4.767 -1.572 297 1HB LEU 37 2HB LEU 37 -2.840 -4.560 -2.566 298 2HB LEU 37 1HB LEU 37 -3.546 -3.744 -3.961 299 HG LEU 37 HG LEU 37 -4.548 -2.427 -1.665 300 1HD1 LEU 37 2HD1 LEU 37 -1.571 -2.975 -1.574 301 2HD1 LEU 37 1HD1 LEU 37 -2.338 -1.647 -0.701 302 3HD1 LEU 37 3HD1 LEU 37 -2.763 -3.316 -0.320 303 1HD2 LEU 37 1HD2 LEU 37 -3.510 -1.813 -4.155 304 2HD2 LEU 37 3HD2 LEU 37 -3.977 -0.629 -2.942 305 3HD2 LEU 37 2HD2 LEU 37 -2.298 -1.136 -3.062 306 H TRP 38 H TRP 38 -5.523 -4.008 -5.027 307 HA TRP 38 HA TRP 38 -7.199 -1.739 -4.662 308 1HB TRP 38 2HB TRP 38 -6.208 -2.308 -6.840 309 2HB TRP 38 1HB TRP 38 -7.094 -3.822 -6.858 310 HD1 TRP 38 HD1 TRP 38 -8.985 -3.748 -8.434 311 HE1 TRP 38 HE1 TRP 38 -10.726 -2.024 -9.229 312 HE3 TRP 38 HE3 TRP 38 -7.511 0.331 -5.722 313 HZ2 TRP 38 HZ2 TRP 38 -11.393 0.714 -8.789 314 HZ3 TRP 38 HZ3 TRP 38 -8.703 2.483 -5.951 315 HH2 TRP 38 HH2 TRP 38 -10.647 2.679 -7.473 316 H ASP 39 H ASP 39 -7.833 -5.164 -4.867 317 HA ASP 39 HA ASP 39 -10.695 -5.002 -4.734 318 1HB ASP 39 2HB ASP 39 -8.655 -7.092 -4.520 319 2HB ASP 39 1HB ASP 39 -10.042 -7.374 -3.467 320 H ALA 40 H ALA 40 -8.168 -4.805 -2.363 321 HA ALA 40 HA ALA 40 -9.996 -5.134 -0.089 322 1HB ALA 40 3HB ALA 40 -7.383 -5.589 -0.228 323 2HB ALA 40 2HB ALA 40 -7.292 -3.884 0.215 324 3HB ALA 40 1HB ALA 40 -8.125 -5.026 1.271 325 H LEU 41 H LEU 41 -7.796 -2.438 -0.858 326 HA LEU 41 HA LEU 41 -8.948 -0.404 0.564 327 1HB LEU 41 2HB LEU 41 -7.806 -0.371 -2.221 328 2HB LEU 41 1HB LEU 41 -8.356 1.110 -1.439 329 HG LEU 41 HG LEU 41 -6.529 -0.701 0.084 330 1HD1 LEU 41 2HD1 LEU 41 -5.608 -0.378 -2.279 331 2HD1 LEU 41 1HD1 LEU 41 -5.501 1.339 -1.904 332 3HD1 LEU 41 3HD1 LEU 41 -4.560 0.175 -0.967 333 1HD2 LEU 41 1HD2 LEU 41 -7.676 1.520 0.848 334 2HD2 LEU 41 3HD2 LEU 41 -5.978 1.252 1.238 335 3HD2 LEU 41 2HD2 LEU 41 -6.419 2.295 -0.115 336 H THR 42 H THR 42 -9.952 -1.382 -2.661 337 HA THR 42 HA THR 42 -12.356 0.296 -2.515 338 HB THR 42 HB THR 42 -12.729 -0.309 -4.760 339 HG1 THR 42 HG1 THR 42 -12.584 -2.326 -5.260 340 1HG2 THR 42 2HG2 THR 42 -10.579 0.917 -4.370 341 2HG2 THR 42 1HG2 THR 42 -9.740 -0.634 -4.392 342 3HG2 THR 42 3HG2 THR 42 -10.573 -0.060 -5.836 343 H GLY 43 H GLY 43 -12.392 -1.532 -0.376 344 1HA GLY 43 2HA GLY 43 -14.835 -2.521 -0.097 345 2HA GLY 43 1HA GLY 43 -14.222 -3.699 -1.258 346 H TRP 44 H TRP 44 -12.365 -2.244 1.444 347 HA TRP 44 HA TRP 44 -12.688 -4.600 3.124 348 1HB TRP 44 2HB TRP 44 -11.169 -5.596 1.491 349 2HB TRP 44 1HB TRP 44 -10.079 -4.216 1.633 350 HD1 TRP 44 HD1 TRP 44 -9.024 -3.806 4.156 351 HE1 TRP 44 HE1 TRP 44 -8.270 -5.553 5.895 352 HE3 TRP 44 HE3 TRP 44 -11.489 -7.914 2.401 353 HZ2 TRP 44 HZ2 TRP 44 -8.663 -8.330 6.466 354 HZ3 TRP 44 HZ3 TRP 44 -11.284 -10.096 3.559 355 HH2 TRP 44 HH2 TRP 44 -9.874 -10.309 5.587 356 H VAL 45 H VAL 45 -10.303 -2.115 2.303 357 HA VAL 45 HA VAL 45 -9.497 -1.586 4.994 358 HB VAL 45 HB VAL 45 -9.217 -0.300 2.324 359 1HG1 VAL 45 1HG1 VAL 45 -8.570 1.122 4.908 360 2HG1 VAL 45 3HG1 VAL 45 -8.053 1.639 3.303 361 3HG1 VAL 45 2HG1 VAL 45 -9.769 1.616 3.711 362 1HG2 VAL 45 1HG2 VAL 45 -7.679 -2.055 3.254 363 2HG2 VAL 45 3HG2 VAL 45 -6.869 -0.556 2.801 364 3HG2 VAL 45 2HG2 VAL 45 -7.205 -0.898 4.499 365 H GLU 46 H GLU 46 -9.909 0.578 6.085 366 HA GLU 46 HA GLU 46 -12.764 1.378 5.696 367 1HB GLU 46 2HB GLU 46 -11.196 0.707 8.085 368 2HB GLU 46 1HB GLU 46 -12.053 2.242 8.229 369 1HG GLU 46 2HG GLU 46 -14.018 0.759 7.135 370 2HG GLU 46 1HG GLU 46 -13.139 -0.517 7.977 371 H TYR 47 H TYR 47 -12.982 3.384 4.891 372 HA TYR 47 HA TYR 47 -10.712 5.281 5.135 373 1HB TYR 47 2HB TYR 47 -13.214 5.431 3.424 374 2HB TYR 47 1HB TYR 47 -11.804 6.487 3.301 375 HD1 TYR 47 HD2 TYR 47 -9.548 4.638 3.614 376 HD2 TYR 47 HD1 TYR 47 -13.238 4.133 1.466 377 HE1 TYR 47 HE2 TYR 47 -8.449 2.995 2.112 378 HE2 TYR 47 HE1 TYR 47 -12.134 2.492 -0.032 379 HH TYR 47 HH TYR 47 -9.960 1.861 -0.771 380 HA PRO 48 HA PRO 48 -10.974 7.657 4.370 381 1HB PRO 48 2HB PRO 48 -9.859 9.643 5.912 382 2HB PRO 48 1HB PRO 48 -11.330 9.844 4.939 383 1HG PRO 48 2HG PRO 48 -11.060 9.498 7.896 384 2HG PRO 48 1HG PRO 48 -12.304 10.358 6.972 385 1HD PRO 48 2HD PRO 48 -12.622 7.815 8.109 386 2HD PRO 48 1HD PRO 48 -13.636 8.490 6.813 387 H LEU 49 H LEU 49 -8.918 6.963 4.056 388 HA LEU 49 HA LEU 49 -7.487 5.809 6.405 389 1HB LEU 49 2HB LEU 49 -7.882 4.042 4.930 390 2HB LEU 49 1HB LEU 49 -7.717 5.067 3.506 391 HG LEU 49 HG LEU 49 -5.225 5.274 4.169 392 1HD1 LEU 49 2HD1 LEU 49 -5.711 4.266 6.483 393 2HD1 LEU 49 1HD1 LEU 49 -5.861 2.717 5.655 394 3HD1 LEU 49 3HD1 LEU 49 -4.332 3.592 5.614 395 1HD2 LEU 49 1HD2 LEU 49 -6.717 3.242 2.775 396 2HD2 LEU 49 3HD2 LEU 49 -5.130 3.914 2.390 397 3HD2 LEU 49 2HD2 LEU 49 -5.267 2.542 3.492 398 H VAL 50 H VAL 50 -5.077 5.992 6.312 399 HA VAL 50 HA VAL 50 -4.199 8.428 4.813 400 HB VAL 50 HB VAL 50 -4.108 7.811 7.693 401 1HG1 VAL 50 1HG1 VAL 50 -1.592 8.602 6.224 402 2HG1 VAL 50 3HG1 VAL 50 -1.873 9.103 7.892 403 3HG1 VAL 50 2HG1 VAL 50 -1.790 7.389 7.489 404 1HG2 VAL 50 1HG2 VAL 50 -3.689 10.309 6.031 405 2HG2 VAL 50 3HG2 VAL 50 -5.204 9.788 6.768 406 3HG2 VAL 50 2HG2 VAL 50 -3.852 10.282 7.787 407 H LEU 51 H LEU 51 -3.092 7.359 3.145 408 HA LEU 51 HA LEU 51 -1.326 5.091 3.780 409 1HB LEU 51 2HB LEU 51 -2.621 5.255 1.618 410 2HB LEU 51 1HB LEU 51 -1.583 6.614 1.175 411 HG LEU 51 HG LEU 51 0.385 4.980 1.636 412 1HD1 LEU 51 2HD1 LEU 51 -1.978 3.230 1.797 413 2HD1 LEU 51 1HD1 LEU 51 -0.638 2.619 0.816 414 3HD1 LEU 51 3HD1 LEU 51 -0.380 3.031 2.519 415 1HD2 LEU 51 1HD2 LEU 51 -1.507 4.762 -0.691 416 2HD2 LEU 51 3HD2 LEU 51 -0.022 5.711 -0.588 417 3HD2 LEU 51 2HD2 LEU 51 0.056 3.950 -0.663 418 H GLU 52 H GLU 52 -0.136 6.681 5.335 419 HA GLU 52 HA GLU 52 1.548 8.732 4.223 420 1HB GLU 52 2HB GLU 52 1.139 8.746 6.598 421 2HB GLU 52 1HB GLU 52 1.731 7.091 6.766 422 1HG GLU 52 2HG GLU 52 3.882 7.773 6.883 423 2HG GLU 52 1HG GLU 52 3.694 8.844 5.495 424 H TRP 53 H TRP 53 2.461 7.640 2.317 425 HA TRP 53 HA TRP 53 4.100 5.268 2.714 426 1HB TRP 53 2HB TRP 53 2.848 6.075 0.551 427 2HB TRP 53 1HB TRP 53 4.331 6.999 0.275 428 HD1 TRP 53 HD1 TRP 53 6.638 5.292 0.888 429 HE1 TRP 53 HE1 TRP 53 7.058 2.962 -0.129 430 HE3 TRP 53 HE3 TRP 53 1.906 4.121 -0.600 431 HZ2 TRP 53 HZ2 TRP 53 5.572 0.881 -1.397 432 HZ3 TRP 53 HZ3 TRP 53 1.427 1.968 -1.713 433 HH2 TRP 53 HH2 TRP 53 3.259 0.334 -2.112 434 H ARG 54 H ARG 54 5.774 5.799 4.161 435 HA ARG 54 HA ARG 54 7.318 8.198 4.073 436 1HB ARG 54 2HB ARG 54 8.300 5.486 5.000 437 2HB ARG 54 1HB ARG 54 8.851 7.070 5.545 438 1HG ARG 54 2HG ARG 54 6.315 7.406 6.183 439 2HG ARG 54 1HG ARG 54 6.285 5.642 6.167 440 1HD ARG 54 2HD ARG 54 6.837 6.763 8.413 441 2HD ARG 54 1HD ARG 54 7.932 5.491 7.873 442 HE ARG 54 HE ARG 54 9.626 7.119 7.701 443 1HH1 ARG 54 2HH1 ARG 54 7.213 8.625 9.286 444 2HH1 ARG 54 1HH1 ARG 54 7.481 10.213 8.649 445 1HH2 ARG 54 1HH2 ARG 54 9.674 9.144 6.185 446 2HH2 ARG 54 2HH2 ARG 54 8.874 10.507 6.894 447 H GLN 55 H GLN 55 9.938 6.500 3.978 448 HA GLN 55 HA GLN 55 10.954 7.289 1.539 449 1HB GLN 55 2HB GLN 55 11.532 4.956 3.320 450 2HB GLN 55 1HB GLN 55 12.287 4.992 1.727 451 1HG GLN 55 2HG GLN 55 13.721 6.072 3.437 452 2HG GLN 55 1HG GLN 55 13.213 7.219 2.196 453 1HE2 GLN 55 2HE2 GLN 55 11.519 9.293 4.480 454 2HE2 GLN 55 1HE2 GLN 55 12.101 9.070 2.901 455 H PHE 56 H PHE 56 9.714 7.098 -0.305 456 HA PHE 56 HA PHE 56 8.410 4.524 -0.933 457 1HB PHE 56 2HB PHE 56 7.166 6.579 -1.387 458 2HB PHE 56 1HB PHE 56 8.473 7.172 -2.411 459 HD1 PHE 56 HD1 PHE 56 8.932 6.139 -4.602 460 HD2 PHE 56 HD2 PHE 56 5.661 4.828 -2.145 461 HE1 PHE 56 HE1 PHE 56 7.955 4.948 -6.537 462 HE2 PHE 56 HE2 PHE 56 4.684 3.637 -4.080 463 HZ PHE 56 HZ PHE 56 5.830 3.695 -6.281 464 H GLU 57 H GLU 57 11.445 5.883 -1.367 465 HA GLU 57 HA GLU 57 11.983 4.934 -4.064 466 1HB GLU 57 2HB GLU 57 13.326 6.747 -3.169 467 2HB GLU 57 1HB GLU 57 13.822 5.756 -1.797 468 1HG GLU 57 2HG GLU 57 15.310 4.525 -3.044 469 2HG GLU 57 1HG GLU 57 14.342 4.649 -4.513 470 H GLN 58 H GLN 58 13.438 3.871 -0.965 471 HA GLN 58 HA GLN 58 14.449 1.424 -1.905 472 1HB GLN 58 2HB GLN 58 13.959 0.687 0.588 473 2HB GLN 58 1HB GLN 58 15.185 1.906 0.240 474 1HG GLN 58 2HG GLN 58 12.536 3.094 0.473 475 2HG GLN 58 1HG GLN 58 12.982 2.213 1.933 476 1HE2 GLN 58 2HE2 GLN 58 15.161 4.756 2.986 477 2HE2 GLN 58 1HE2 GLN 58 14.159 3.448 3.395 478 H SER 59 H SER 59 13.612 -0.659 -2.067 479 HA SER 59 HA SER 59 11.988 -2.380 -2.032 480 1HB SER 59 2HB SER 59 10.094 -2.174 -0.742 481 2HB SER 59 1HB SER 59 11.021 -0.831 -0.070 482 HG SER 59 HG SER 59 8.996 -0.768 -2.055 483 H LYS 60 H LYS 60 11.278 0.797 -3.375 484 HA LYS 60 HA LYS 60 9.352 -0.231 -5.313 485 1HB LYS 60 2HB LYS 60 9.327 2.110 -4.412 486 2HB LYS 60 1HB LYS 60 10.825 2.412 -5.302 487 1HG LYS 60 2HG LYS 60 8.646 1.194 -6.894 488 2HG LYS 60 1HG LYS 60 8.333 2.840 -6.337 489 1HD LYS 60 2HD LYS 60 10.126 3.730 -7.523 490 2HD LYS 60 1HD LYS 60 11.004 2.200 -7.543 491 1HE LYS 60 2HE LYS 60 8.787 1.492 -8.939 492 2HE LYS 60 1HE LYS 60 8.901 3.195 -9.381 493 1HZ LYS 60 2HZ LYS 60 11.325 2.716 -9.841 494 2HZ LYS 60 1HZ LYS 60 10.921 1.068 -9.758 495 3HZ LYS 60 3HZ LYS 60 10.205 2.056 -10.935 496 H GLN 61 H GLN 61 12.702 1.031 -5.501 497 HA GLN 61 HA GLN 61 12.927 0.237 -8.315 498 1HB GLN 61 2HB GLN 61 14.134 2.212 -7.282 499 2HB GLN 61 1HB GLN 61 15.136 1.047 -6.414 500 1HG GLN 61 2HG GLN 61 16.389 1.541 -8.361 501 2HG GLN 61 1HG GLN 61 15.604 0.006 -8.731 502 1HE2 GLN 61 2HE2 GLN 61 15.029 2.351 -11.602 503 2HE2 GLN 61 1HE2 GLN 61 16.412 1.721 -10.846 504 H LEU 62 H LEU 62 13.326 -1.196 -5.287 505 HA LEU 62 HA LEU 62 15.342 -3.153 -5.997 506 1HB LEU 62 2HB LEU 62 13.341 -2.963 -3.726 507 2HB LEU 62 1HB LEU 62 14.539 -4.253 -3.860 508 HG LEU 62 HG LEU 62 16.364 -2.667 -3.712 509 1HD1 LEU 62 1HD1 LEU 62 14.183 -0.556 -3.834 510 2HD1 LEU 62 3HD1 LEU 62 15.841 -0.216 -3.339 511 3HD1 LEU 62 2HD1 LEU 62 15.512 -0.788 -4.972 512 1HD2 LEU 62 1HD2 LEU 62 14.225 -2.745 -1.707 513 2HD2 LEU 62 3HD2 LEU 62 15.964 -2.963 -1.502 514 3HD2 LEU 62 2HD2 LEU 62 15.276 -1.338 -1.556 515 H THR 63 H THR 63 12.224 -2.728 -7.017 516 HA THR 63 HA THR 63 11.968 -5.616 -7.692 517 HB THR 63 HB THR 63 10.467 -4.985 -5.764 518 HG1 THR 63 HG1 THR 63 8.669 -5.976 -6.686 519 1HG2 THR 63 2HG2 THR 63 10.085 -2.645 -6.711 520 2HG2 THR 63 1HG2 THR 63 8.927 -3.392 -7.807 521 3HG2 THR 63 3HG2 THR 63 8.668 -3.471 -6.066 522 H GLU 64 H GLU 64 9.287 -4.773 -8.949 523 HA GLU 64 HA GLU 64 10.431 -3.241 -11.239 524 1HB GLU 64 2HB GLU 64 8.672 -4.682 -12.571 525 2HB GLU 64 1HB GLU 64 10.249 -5.370 -12.179 526 1HG GLU 64 2HG GLU 64 8.649 -7.031 -11.559 527 2HG GLU 64 1HG GLU 64 9.167 -6.281 -10.049 528 H ASN 65 H ASN 65 7.705 -3.888 -9.133 529 HA ASN 65 HA ASN 65 6.583 -1.302 -9.483 530 1HB ASN 65 2HB ASN 65 4.841 -1.598 -11.018 531 2HB ASN 65 1HB ASN 65 6.144 -2.528 -11.754 532 1HD2 ASN 65 2HD2 ASN 65 3.015 -4.627 -11.643 533 2HD2 ASN 65 1HD2 ASN 65 3.366 -3.094 -12.281 534 H GLY 66 H GLY 66 7.140 -3.132 -7.354 535 1HA GLY 66 2HA GLY 66 4.591 -4.254 -6.448 536 2HA GLY 66 1HA GLY 66 6.099 -4.226 -5.527 537 H ALA 67 H ALA 67 6.768 -1.691 -5.190 538 HA ALA 67 HA ALA 67 4.735 -0.659 -3.404 539 1HB ALA 67 2HB ALA 67 7.413 0.358 -4.354 540 2HB ALA 67 1HB ALA 67 6.362 1.354 -3.346 541 3HB ALA 67 3HB ALA 67 6.957 -0.192 -2.742 542 H GLU 68 H GLU 68 5.958 0.301 -6.608 543 HA GLU 68 HA GLU 68 4.380 2.659 -6.832 544 1HB GLU 68 2HB GLU 68 6.333 1.481 -8.353 545 2HB GLU 68 1HB GLU 68 4.896 1.201 -9.337 546 1HG GLU 68 2HG GLU 68 4.503 3.796 -8.604 547 2HG GLU 68 1HG GLU 68 6.265 3.741 -8.676 548 H SER 69 H SER 69 3.599 -0.698 -7.089 549 HA SER 69 HA SER 69 1.151 -0.201 -8.642 550 1HB SER 69 2HB SER 69 2.431 -2.649 -7.440 551 2HB SER 69 1HB SER 69 0.770 -2.699 -8.023 552 HG SER 69 HG SER 69 2.461 -3.250 -9.585 553 H VAL 70 H VAL 70 1.844 -1.430 -5.317 554 HA VAL 70 HA VAL 70 -0.805 -1.447 -4.407 555 HB VAL 70 HB VAL 70 1.716 -0.629 -2.923 556 1HG1 VAL 70 2HG1 VAL 70 -0.996 -0.200 -2.180 557 2HG1 VAL 70 1HG1 VAL 70 -0.411 -1.540 -1.205 558 3HG1 VAL 70 3HG1 VAL 70 0.435 0.008 -1.172 559 1HG2 VAL 70 1HG2 VAL 70 1.295 -3.049 -3.828 560 2HG2 VAL 70 3HG2 VAL 70 1.794 -2.858 -2.147 561 3HG2 VAL 70 2HG2 VAL 70 0.098 -3.148 -2.536 562 H LEU 71 H LEU 71 1.415 1.106 -5.121 563 HA LEU 71 HA LEU 71 -0.201 3.118 -3.839 564 1HB LEU 71 2HB LEU 71 2.342 3.212 -4.269 565 2HB LEU 71 1HB LEU 71 1.908 3.675 -5.914 566 HG LEU 71 HG LEU 71 0.809 5.644 -5.183 567 1HD1 LEU 71 3HD1 LEU 71 0.741 4.210 -2.567 568 2HD1 LEU 71 2HD1 LEU 71 0.799 5.976 -2.533 569 3HD1 LEU 71 1HD1 LEU 71 -0.525 5.151 -3.368 570 1HD2 LEU 71 2HD2 LEU 71 3.436 5.357 -4.842 571 2HD2 LEU 71 1HD2 LEU 71 2.611 6.843 -4.374 572 3HD2 LEU 71 3HD2 LEU 71 3.000 5.629 -3.155 573 H GLN 72 H GLN 72 0.369 2.114 -7.236 574 HA GLN 72 HA GLN 72 -1.265 4.065 -8.449 575 1HB GLN 72 2HB GLN 72 -0.547 1.242 -9.101 576 2HB GLN 72 1HB GLN 72 -1.908 1.950 -9.972 577 1HG GLN 72 2HG GLN 72 -0.562 3.720 -10.838 578 2HG GLN 72 1HG GLN 72 0.760 3.350 -9.730 579 1HE2 GLN 72 2HE2 GLN 72 0.335 0.227 -12.286 580 2HE2 GLN 72 1HE2 GLN 72 -0.879 0.621 -11.168 581 H VAL 73 H VAL 73 -2.052 1.324 -6.511 582 HA VAL 73 HA VAL 73 -4.925 1.426 -7.084 583 HB VAL 73 HB VAL 73 -3.311 -0.134 -5.059 584 1HG1 VAL 73 1HG1 VAL 73 -5.849 0.416 -4.620 585 2HG1 VAL 73 3HG1 VAL 73 -6.112 -0.782 -5.881 586 3HG1 VAL 73 2HG1 VAL 73 -5.258 -1.230 -4.411 587 1HG2 VAL 73 1HG2 VAL 73 -3.328 -0.403 -7.737 588 2HG2 VAL 73 3HG2 VAL 73 -3.220 -1.794 -6.656 589 3HG2 VAL 73 2HG2 VAL 73 -4.776 -1.338 -7.359 590 H PHE 74 H PHE 74 -2.890 2.135 -4.222 591 HA PHE 74 HA PHE 74 -4.879 2.954 -2.481 592 1HB PHE 74 2HB PHE 74 -1.997 3.504 -2.864 593 2HB PHE 74 1HB PHE 74 -2.876 4.695 -1.924 594 HD1 PHE 74 HD2 PHE 74 -4.484 3.745 -0.057 595 HD2 PHE 74 HD1 PHE 74 -1.241 1.562 -1.823 596 HE1 PHE 74 HE2 PHE 74 -4.489 2.163 1.842 597 HE2 PHE 74 HE1 PHE 74 -1.254 -0.006 0.093 598 HZ PHE 74 HZ PHE 74 -2.887 0.306 1.916 599 H ARG 75 H ARG 75 -2.985 4.895 -4.741 600 HA ARG 75 HA ARG 75 -4.498 7.300 -4.505 601 1HB ARG 75 2HB ARG 75 -2.630 6.163 -6.563 602 2HB ARG 75 1HB ARG 75 -3.568 7.603 -6.958 603 1HG ARG 75 2HG ARG 75 -2.704 8.677 -4.867 604 2HG ARG 75 1HG ARG 75 -1.672 7.267 -4.619 605 1HD ARG 75 2HD ARG 75 -1.554 9.305 -6.841 606 2HD ARG 75 1HD ARG 75 -0.270 8.808 -5.739 607 HE ARG 75 HE ARG 75 -0.695 6.484 -7.023 608 1HH1 ARG 75 1HH2 ARG 75 -1.973 7.127 -9.373 609 2HH1 ARG 75 2HH2 ARG 75 -0.784 7.823 -10.422 610 1HH2 ARG 75 2HH1 ARG 75 1.457 8.505 -7.866 611 2HH2 ARG 75 1HH1 ARG 75 1.157 8.603 -9.569 612 H GLU 76 H GLU 76 -4.796 4.493 -6.754 613 HA GLU 76 HA GLU 76 -6.859 5.577 -8.375 614 1HB GLU 76 2HB GLU 76 -5.879 2.881 -7.690 615 2HB GLU 76 1HB GLU 76 -7.560 2.945 -8.221 616 1HG GLU 76 2HG GLU 76 -7.002 3.871 -10.298 617 2HG GLU 76 1HG GLU 76 -5.422 4.414 -9.734 618 H ALA 77 H ALA 77 -6.950 4.382 -5.113 619 HA ALA 77 HA ALA 77 -9.866 4.130 -5.036 620 1HB ALA 77 1HB ALA 77 -7.873 3.044 -3.527 621 2HB ALA 77 3HB ALA 77 -8.338 4.406 -2.509 622 3HB ALA 77 2HB ALA 77 -9.539 3.200 -2.965 623 H LYS 78 H LYS 78 -7.465 6.338 -3.531 624 HA LYS 78 HA LYS 78 -9.390 8.171 -2.527 625 1HB LYS 78 2HB LYS 78 -7.552 9.530 -2.045 626 2HB LYS 78 1HB LYS 78 -6.822 7.933 -2.088 627 1HG LYS 78 2HG LYS 78 -5.371 8.788 -3.593 628 2HG LYS 78 1HG LYS 78 -6.711 8.770 -4.739 629 1HD LYS 78 2HD LYS 78 -5.953 11.008 -4.796 630 2HD LYS 78 1HD LYS 78 -7.350 11.063 -3.719 631 1HE LYS 78 2HE LYS 78 -5.941 12.071 -2.254 632 2HE LYS 78 1HE LYS 78 -5.309 10.447 -1.978 633 1HZ LYS 78 3HZ LYS 78 -4.006 11.195 -4.205 634 2HZ LYS 78 2HZ LYS 78 -4.125 12.674 -3.378 635 3HZ LYS 78 1HZ LYS 78 -3.384 11.339 -2.634 636 H ALA 79 H ALA 79 -8.446 7.441 -5.710 637 HA ALA 79 HA ALA 79 -9.114 10.090 -6.828 638 1HB ALA 79 1HB ALA 79 -7.470 8.011 -7.654 639 2HB ALA 79 3HB ALA 79 -8.889 7.832 -8.690 640 3HB ALA 79 2HB ALA 79 -7.995 9.358 -8.666 641 H GLU 80 H GLU 80 -10.121 6.826 -7.746 642 HA GLU 80 HA GLU 80 -12.492 7.458 -9.030 643 1HB GLU 80 2HB GLU 80 -12.117 5.029 -7.267 644 2HB GLU 80 1HB GLU 80 -13.128 5.175 -8.703 645 1HG GLU 80 2HG GLU 80 -10.429 5.937 -9.349 646 2HG GLU 80 1HG GLU 80 -10.437 4.340 -8.602 647 H GLY 81 H GLY 81 -12.396 6.286 -5.619 648 1HA GLY 81 2HA GLY 81 -14.388 8.328 -4.896 649 2HA GLY 81 1HA GLY 81 -15.001 6.673 -4.879 650 H ALA 82 H ALA 82 -12.513 5.477 -3.958 651 HA ALA 82 HA ALA 82 -12.830 5.283 -1.253 652 1HB ALA 82 2HB ALA 82 -10.852 4.535 -3.049 653 2HB ALA 82 1HB ALA 82 -9.987 5.536 -1.881 654 3HB ALA 82 3HB ALA 82 -10.894 4.125 -1.334 655 H ASP 83 H ASP 83 -12.025 6.359 0.609 656 HA ASP 83 HA ASP 83 -11.309 9.220 0.142 657 1HB ASP 83 2HB ASP 83 -12.977 7.811 2.132 658 2HB ASP 83 1HB ASP 83 -11.897 9.024 2.821 659 H ILE 84 H ILE 84 -9.155 7.871 -0.293 660 HA ILE 84 HA ILE 84 -7.722 7.481 2.291 661 HB ILE 84 HB ILE 84 -7.124 6.518 -0.518 662 1HG1 ILE 84 2HG1 ILE 84 -7.316 4.659 1.747 663 2HG1 ILE 84 1HG1 ILE 84 -8.818 5.507 1.380 664 1HG2 ILE 84 3HG2 ILE 84 -5.097 7.176 0.938 665 2HG2 ILE 84 2HG2 ILE 84 -5.583 5.850 1.996 666 3HG2 ILE 84 1HG2 ILE 84 -5.126 5.522 0.323 667 1HD1 ILE 84 3HD1 ILE 84 -7.304 4.434 -0.941 668 2HD1 ILE 84 2HD1 ILE 84 -8.076 3.248 0.112 669 3HD1 ILE 84 1HD1 ILE 84 -9.043 4.500 -0.662 670 H THR 85 H THR 85 -5.673 8.465 2.583 671 HA THR 85 HA THR 85 -5.175 10.821 0.819 672 HB THR 85 HB THR 85 -4.024 10.510 3.586 673 HG1 THR 85 HG1 THR 85 -6.421 11.883 3.202 674 1HG2 THR 85 1HG2 THR 85 -3.395 12.333 1.873 675 2HG2 THR 85 3HG2 THR 85 -4.999 12.995 2.183 676 3HG2 THR 85 2HG2 THR 85 -3.830 12.866 3.497 677 H ILE 86 H ILE 86 -3.763 9.912 -0.672 678 HA ILE 86 HA ILE 86 -1.642 8.116 0.215 679 HB ILE 86 HB ILE 86 -2.754 9.039 -2.360 680 1HG1 ILE 86 2HG1 ILE 86 -2.590 6.733 -2.903 681 2HG1 ILE 86 1HG1 ILE 86 -1.327 6.458 -1.708 682 1HG2 ILE 86 3HG2 ILE 86 0.190 8.738 -1.936 683 2HG2 ILE 86 2HG2 ILE 86 -0.501 8.028 -3.392 684 3HG2 ILE 86 1HG2 ILE 86 -0.680 9.755 -3.084 685 1HD1 ILE 86 1HD1 ILE 86 -3.615 7.489 -0.330 686 2HD1 ILE 86 3HD1 ILE 86 -4.156 6.189 -1.386 687 3HD1 ILE 86 2HD1 ILE 86 -2.894 5.885 -0.192 688 H ILE 87 H ILE 87 0.136 8.861 1.162 689 HA ILE 87 HA ILE 87 1.117 11.577 0.354 690 HB ILE 87 HB ILE 87 1.403 10.090 2.978 691 1HG1 ILE 87 2HG1 ILE 87 0.362 12.793 3.071 692 2HG1 ILE 87 1HG1 ILE 87 -0.597 11.800 1.973 693 1HG2 ILE 87 2HG2 ILE 87 3.433 11.456 2.162 694 2HG2 ILE 87 1HG2 ILE 87 2.405 12.873 2.376 695 3HG2 ILE 87 3HG2 ILE 87 2.791 11.847 3.757 696 1HD1 ILE 87 1HD1 ILE 87 0.019 10.251 4.308 697 2HD1 ILE 87 3HD1 ILE 87 -0.653 11.800 4.818 698 3HD1 ILE 87 2HD1 ILE 87 -1.562 10.763 3.719 699 H LEU 88 H LEU 88 3.375 11.824 0.008 700 HA LEU 88 HA LEU 88 5.067 9.397 0.127 701 1HB LEU 88 2HB LEU 88 4.270 10.839 -2.393 702 2HB LEU 88 1HB LEU 88 5.836 10.034 -2.289 703 HG LEU 88 HG LEU 88 3.874 8.256 -1.227 704 1HD1 LEU 88 3HD1 LEU 88 2.637 9.965 -3.014 705 2HD1 LEU 88 2HD1 LEU 88 3.112 8.611 -4.040 706 3HD1 LEU 88 1HD1 LEU 88 2.094 8.332 -2.627 707 1HD2 LEU 88 1HD2 LEU 88 6.120 7.898 -2.481 708 2HD2 LEU 88 3HD2 LEU 88 4.809 6.762 -2.802 709 3HD2 LEU 88 2HD2 LEU 88 5.157 8.054 -3.951 710 H SER 89 HN SER 89 4.802 12.865 -0.594 711 HA SER 89 HA SER 89 6.378 14.592 -0.344 712 1HB SER 89 2HB SER 89 6.201 13.125 2.044 713 2HB SER 89 1HB SER 89 7.931 13.338 1.768 714 HG SER 89 HG SER 89 5.944 15.202 2.295 No H/Q in entry = 714 Start of MODEL 2 1 1H LYS 1 2H LYS 1 -8.625 5.107 8.055 2 2H LYS 1 1H LYS 1 -9.517 4.204 9.184 3 3H LYS 1 3H LYS 1 -8.773 5.652 9.657 4 HA LYS 1 HA LYS 1 -7.385 3.986 10.498 5 1HB LYS 1 2HB LYS 1 -7.916 2.710 7.817 6 2HB LYS 1 1HB LYS 1 -6.517 2.236 8.782 7 1HG LYS 1 2HG LYS 1 -8.672 2.293 10.587 8 2HG LYS 1 1HG LYS 1 -9.303 1.515 9.135 9 1HD LYS 1 2HD LYS 1 -7.080 0.151 9.189 10 2HD LYS 1 1HD LYS 1 -6.994 0.670 10.873 11 1HE LYS 1 2HE LYS 1 -9.154 -0.325 11.350 12 2HE LYS 1 1HE LYS 1 -9.396 -0.712 9.647 13 1HZ LYS 1 1HZ LYS 1 -6.920 -1.734 10.597 14 2HZ LYS 1 3HZ LYS 1 -8.207 -2.304 11.544 15 3HZ LYS 1 2HZ LYS 1 -8.212 -2.558 9.864 16 H LYS 2 H LYS 2 -4.996 3.843 10.119 17 HA LYS 2 HA LYS 2 -4.113 5.747 8.005 18 1HB LYS 2 2HB LYS 2 -2.832 7.013 9.473 19 2HB LYS 2 1HB LYS 2 -4.218 6.621 10.485 20 1HG LYS 2 2HG LYS 2 -2.914 4.648 11.366 21 2HG LYS 2 1HG LYS 2 -1.513 5.256 10.483 22 1HD LYS 2 2HD LYS 2 -3.045 6.982 12.434 23 2HD LYS 2 1HD LYS 2 -1.705 5.956 12.946 24 1HE LYS 2 2HE LYS 2 -0.670 7.229 10.721 25 2HE LYS 2 1HE LYS 2 -1.653 8.490 11.467 26 1HZ LYS 2 3HZ LYS 2 -0.537 7.852 13.613 27 2HZ LYS 2 2HZ LYS 2 0.558 6.942 12.686 28 3HZ LYS 2 1HZ LYS 2 0.451 8.624 12.472 29 H ALA 3 H ALA 3 -2.977 4.515 6.620 30 HA ALA 3 HA ALA 3 -1.315 2.289 7.658 31 1HB ALA 3 1HB ALA 3 -2.622 2.941 5.106 32 2HB ALA 3 3HB ALA 3 -0.968 2.356 4.913 33 3HB ALA 3 2HB ALA 3 -2.160 1.370 5.761 34 H VAL 4 H VAL 4 0.976 2.243 7.242 35 HA VAL 4 HA VAL 4 2.127 4.769 6.182 36 HB VAL 4 HB VAL 4 2.899 3.493 8.824 37 1HG1 VAL 4 2HG1 VAL 4 4.503 4.911 7.041 38 2HG1 VAL 4 1HG1 VAL 4 3.974 6.136 8.196 39 3HG1 VAL 4 3HG1 VAL 4 4.814 4.692 8.764 40 1HG2 VAL 4 2HG2 VAL 4 0.864 5.337 8.194 41 2HG2 VAL 4 1HG2 VAL 4 1.494 4.966 9.798 42 3HG2 VAL 4 3HG2 VAL 4 2.176 6.301 8.870 43 H ILE 5 H ILE 5 3.780 4.396 4.854 44 HA ILE 5 HA ILE 5 4.862 1.640 4.653 45 HB ILE 5 HB ILE 5 5.325 3.958 2.770 46 1HG1 ILE 5 2HG1 ILE 5 2.822 3.238 3.355 47 2HG1 ILE 5 1HG1 ILE 5 3.295 3.610 1.709 48 1HG2 ILE 5 2HG2 ILE 5 5.966 1.097 2.828 49 2HG2 ILE 5 1HG2 ILE 5 5.213 1.614 1.320 50 3HG2 ILE 5 3HG2 ILE 5 6.690 2.397 1.881 51 1HD1 ILE 5 3HD1 ILE 5 3.749 0.804 2.476 52 2HD1 ILE 5 2HD1 ILE 5 2.056 1.296 2.490 53 3HD1 ILE 5 1HD1 ILE 5 3.012 1.472 1.018 54 H ASN 6 H ASN 6 6.807 1.279 5.599 55 HA ASN 6 HA ASN 6 8.585 3.638 6.033 56 1HB ASN 6 2HB ASN 6 8.956 1.103 7.571 57 2HB ASN 6 1HB ASN 6 9.239 2.768 8.076 58 1HD2 ASN 6 2HD2 ASN 6 6.230 2.657 9.870 59 2HD2 ASN 6 1HD2 ASN 6 7.895 2.985 9.863 60 H GLY 7 H GLY 7 9.936 3.547 4.254 61 1HA GLY 7 2HA GLY 7 10.847 1.056 3.120 62 2HA GLY 7 1HA GLY 7 11.494 2.659 2.739 63 H GLU 8 H GLU 8 11.620 2.646 5.969 64 HA GLU 8 HA GLU 8 14.455 1.885 5.966 65 1HB GLU 8 2HB GLU 8 13.462 3.985 7.098 66 2HB GLU 8 1HB GLU 8 12.901 2.878 8.351 67 1HG GLU 8 2HG GLU 8 14.997 3.544 9.169 68 2HG GLU 8 1HG GLU 8 15.369 2.022 8.357 69 H GLN 9 H GLN 9 11.475 0.464 6.688 70 HA GLN 9 HA GLN 9 12.811 -1.596 8.389 71 1HB GLN 9 2HB GLN 9 10.867 -0.237 9.391 72 2HB GLN 9 1HB GLN 9 9.834 -1.119 8.266 73 1HG GLN 9 2HG GLN 9 9.822 -2.903 9.635 74 2HG GLN 9 1HG GLN 9 11.583 -2.985 9.569 75 1HE2 GLN 9 1HE2 GLN 9 9.162 -0.764 11.089 76 2HE2 GLN 9 2HE2 GLN 9 9.939 -0.721 12.597 77 H ILE 10 H ILE 10 11.098 -0.933 5.499 78 HA ILE 10 HA ILE 10 10.336 -3.706 4.973 79 HB ILE 10 HB ILE 10 10.466 -1.308 3.120 80 1HG1 ILE 10 2HG1 ILE 10 8.876 -1.107 5.048 81 2HG1 ILE 10 1HG1 ILE 10 8.058 -1.160 3.487 82 1HG2 ILE 10 1HG2 ILE 10 9.464 -4.133 2.804 83 2HG2 ILE 10 3HG2 ILE 10 8.758 -2.819 1.863 84 3HG2 ILE 10 2HG2 ILE 10 10.475 -3.190 1.709 85 1HD1 ILE 10 3HD1 ILE 10 8.026 -3.761 3.954 86 2HD1 ILE 10 2HD1 ILE 10 8.194 -3.250 5.632 87 3HD1 ILE 10 1HD1 ILE 10 6.809 -2.714 4.679 88 H ARG 11 H ARG 11 12.010 -5.101 4.712 89 HA ARG 11 HA ARG 11 14.582 -4.297 3.604 90 1HB ARG 11 2HB ARG 11 13.875 -7.179 3.549 91 2HB ARG 11 1HB ARG 11 15.303 -6.384 4.218 92 1HG ARG 11 2HG ARG 11 13.738 -5.508 6.059 93 2HG ARG 11 1HG ARG 11 12.584 -6.708 5.471 94 1HD ARG 11 2HD ARG 11 15.409 -7.541 6.080 95 2HD ARG 11 1HD ARG 11 14.254 -7.357 7.400 96 HE ARG 11 HE ARG 11 12.997 -8.936 5.421 97 1HH1 ARG 11 2HH1 ARG 11 16.038 -9.089 6.985 98 2HH1 ARG 11 1HH1 ARG 11 15.910 -10.768 7.387 99 1HH2 ARG 11 1HH2 ARG 11 12.679 -11.087 6.169 100 2HH2 ARG 11 2HH2 ARG 11 14.008 -11.899 6.925 101 H SER 12 H SER 12 11.786 -6.131 2.458 102 HA SER 12 HA SER 12 12.614 -5.495 -0.330 103 1HB SER 12 2HB SER 12 13.469 -7.764 0.138 104 2HB SER 12 1HB SER 12 11.856 -8.272 0.632 105 HG SER 12 HG SER 12 12.745 -8.490 -1.718 106 H ILE 13 H ILE 13 10.806 -5.809 -1.869 107 HA ILE 13 HA ILE 13 8.435 -4.559 -1.213 108 HB ILE 13 HB ILE 13 9.101 -5.175 -3.505 109 1HG1 ILE 13 2HG1 ILE 13 6.636 -4.749 -2.751 110 2HG1 ILE 13 1HG1 ILE 13 6.925 -5.418 -4.352 111 1HG2 ILE 13 2HG2 ILE 13 8.475 -7.946 -2.500 112 2HG2 ILE 13 1HG2 ILE 13 8.504 -7.559 -4.221 113 3HG2 ILE 13 3HG2 ILE 13 9.962 -7.364 -3.249 114 1HD1 ILE 13 1HD1 ILE 13 6.678 -7.732 -3.179 115 2HD1 ILE 13 3HD1 ILE 13 5.922 -6.808 -1.887 116 3HD1 ILE 13 2HD1 ILE 13 5.231 -6.791 -3.503 117 H SER 14 H SER 14 9.268 -7.941 -0.659 118 HA SER 14 HA SER 14 6.763 -9.036 -0.058 119 1HB SER 14 2HB SER 14 8.244 -10.248 1.829 120 2HB SER 14 1HB SER 14 8.395 -10.642 0.119 121 HG SER 14 HG SER 14 10.404 -10.147 1.234 122 H ASP 15 H ASP 15 8.948 -7.387 2.271 123 HA ASP 15 HA ASP 15 7.084 -7.460 4.430 124 1HB ASP 15 2HB ASP 15 9.678 -6.245 3.844 125 2HB ASP 15 1HB ASP 15 8.677 -5.241 4.884 126 H LEU 16 H LEU 16 7.319 -5.465 1.656 127 HA LEU 16 HA LEU 16 5.963 -3.121 2.601 128 1HB LEU 16 2HB LEU 16 7.200 -3.303 0.425 129 2HB LEU 16 1HB LEU 16 5.899 -4.320 -0.184 130 HG LEU 16 HG LEU 16 4.580 -2.530 -0.615 131 1HD1 LEU 16 3HD1 LEU 16 5.437 -1.440 2.082 132 2HD1 LEU 16 2HD1 LEU 16 4.336 -0.590 1.000 133 3HD1 LEU 16 1HD1 LEU 16 3.883 -2.158 1.662 134 1HD2 LEU 16 3HD2 LEU 16 7.066 -1.817 -1.114 135 2HD2 LEU 16 2HD2 LEU 16 5.758 -0.643 -1.261 136 3HD2 LEU 16 1HD2 LEU 16 6.772 -0.661 0.184 137 H HIS 17 H HIS 17 4.732 -5.830 0.647 138 HA HIS 17 HA HIS 17 1.988 -5.145 0.953 139 1HB HIS 17 2HB HIS 17 3.294 -7.819 0.393 140 2HB HIS 17 1HB HIS 17 1.563 -7.495 0.219 141 HD1 HIS 17 HD1 HIS 17 1.005 -7.023 -2.162 142 HD2 HIS 17 HD2 HIS 17 4.752 -5.508 -1.160 143 HE1 HIS 17 HE1 HIS 17 1.900 -5.875 -4.238 144 H GLN 18 H GLN 18 4.211 -6.536 3.127 145 HA GLN 18 HA GLN 18 2.191 -7.837 4.802 146 1HB GLN 18 2HB GLN 18 5.116 -7.187 5.261 147 2HB GLN 18 1HB GLN 18 4.107 -8.026 6.440 148 1HG GLN 18 2HG GLN 18 3.574 -9.702 4.585 149 2HG GLN 18 1HG GLN 18 4.886 -8.958 3.671 150 1HE2 GLN 18 2HE2 GLN 18 7.263 -10.938 5.329 151 2HE2 GLN 18 1HE2 GLN 18 6.756 -10.184 3.895 152 H THR 19 H THR 19 3.854 -4.821 4.548 153 HA THR 19 HA THR 19 2.978 -3.742 7.090 154 HB THR 19 HB THR 19 4.282 -2.620 4.624 155 HG1 THR 19 HG1 THR 19 4.890 -2.792 7.381 156 1HG2 THR 19 3HG2 THR 19 2.583 -1.137 6.489 157 2HG2 THR 19 2HG2 THR 19 4.229 -0.510 6.423 158 3HG2 THR 19 1HG2 THR 19 3.272 -0.627 4.947 159 H LEU 20 H LEU 20 1.753 -3.810 3.832 160 HA LEU 20 HA LEU 20 -0.445 -1.932 4.431 161 1HB LEU 20 2HB LEU 20 -0.573 -3.819 2.104 162 2HB LEU 20 1HB LEU 20 -1.088 -2.133 2.202 163 HG LEU 20 HG LEU 20 1.797 -3.001 2.281 164 1HD1 LEU 20 2HD1 LEU 20 0.018 -2.218 -0.015 165 2HD1 LEU 20 1HD1 LEU 20 1.764 -1.983 -0.085 166 3HD1 LEU 20 3HD1 LEU 20 1.101 -3.605 0.110 167 1HD2 LEU 20 2HD2 LEU 20 1.034 -0.762 3.274 168 2HD2 LEU 20 1HD2 LEU 20 2.289 -0.682 2.037 169 3HD2 LEU 20 3HD2 LEU 20 0.618 -0.301 1.622 170 H LYS 21 H LYS 21 0.200 -5.342 4.278 171 HA LYS 21 HA LYS 21 -2.561 -6.190 4.652 172 1HB LYS 21 2HB LYS 21 -1.045 -7.771 3.666 173 2HB LYS 21 1HB LYS 21 0.102 -7.590 4.998 174 1HG LYS 21 2HG LYS 21 -1.040 -9.035 6.322 175 2HG LYS 21 1HG LYS 21 -2.600 -8.347 5.868 176 1HD LYS 21 2HD LYS 21 -2.942 -9.891 4.239 177 2HD LYS 21 1HD LYS 21 -1.266 -9.819 3.694 178 1HE LYS 21 2HE LYS 21 -1.290 -10.988 6.299 179 2HE LYS 21 1HE LYS 21 -2.504 -11.814 5.322 180 1HZ LYS 21 3HZ LYS 21 -0.584 -11.733 3.559 181 2HZ LYS 21 2HZ LYS 21 0.393 -11.649 4.946 182 3HZ LYS 21 1HZ LYS 21 -0.656 -12.966 4.721 183 H LYS 22 H LYS 22 0.013 -5.090 6.699 184 HA LYS 22 HA LYS 22 -1.252 -6.165 9.136 185 1HB LYS 22 2HB LYS 22 0.716 -5.635 10.236 186 2HB LYS 22 1HB LYS 22 1.335 -5.808 8.596 187 1HG LYS 22 2HG LYS 22 1.253 -3.403 8.256 188 2HG LYS 22 1HG LYS 22 0.480 -3.170 9.823 189 1HD LYS 22 2HD LYS 22 2.776 -4.672 10.384 190 2HD LYS 22 1HD LYS 22 3.302 -3.477 9.198 191 1HE LYS 22 2HE LYS 22 2.531 -1.660 10.554 192 2HE LYS 22 1HE LYS 22 1.663 -2.750 11.635 193 1HZ LYS 22 1HZ LYS 22 4.277 -3.632 11.598 194 2HZ LYS 22 3HZ LYS 22 4.379 -1.942 11.716 195 3HZ LYS 22 2HZ LYS 22 3.487 -2.820 12.865 196 H GLU 23 H GLU 23 -0.842 -3.059 7.475 197 HA GLU 23 HA GLU 23 -2.149 -1.573 9.623 198 1HB GLU 23 2HB GLU 23 -1.652 -0.661 6.785 199 2HB GLU 23 1HB GLU 23 -1.902 0.354 8.206 200 1HG GLU 23 2HG GLU 23 0.305 -1.576 8.489 201 2HG GLU 23 1HG GLU 23 0.561 -0.371 7.227 202 H LEU 24 H LEU 24 -2.977 -2.359 6.295 203 HA LEU 24 HA LEU 24 -5.716 -1.504 6.500 204 1HB LEU 24 2HB LEU 24 -4.650 -3.567 4.559 205 2HB LEU 24 1HB LEU 24 -5.997 -2.452 4.325 206 HG LEU 24 HG LEU 24 -3.204 -1.426 4.826 207 1HD1 LEU 24 2HD1 LEU 24 -4.391 -2.536 2.312 208 2HD1 LEU 24 1HD1 LEU 24 -3.321 -1.138 2.208 209 3HD1 LEU 24 3HD1 LEU 24 -2.738 -2.646 2.915 210 1HD2 LEU 24 1HD2 LEU 24 -5.726 -0.251 4.582 211 2HD2 LEU 24 3HD2 LEU 24 -4.172 0.577 4.508 212 3HD2 LEU 24 2HD2 LEU 24 -4.953 0.034 3.022 213 H ALA 25 H ALA 25 -4.008 -4.458 7.241 214 HA ALA 25 HA ALA 25 -4.766 -6.315 8.478 215 1HB ALA 25 3HB ALA 25 -6.577 -4.320 9.139 216 2HB ALA 25 2HB ALA 25 -7.608 -5.613 8.525 217 3HB ALA 25 1HB ALA 25 -6.509 -5.925 9.869 218 H LEU 26 H LEU 26 -4.472 -6.589 5.796 219 HA LEU 26 HA LEU 26 -6.882 -7.495 4.464 220 1HB LEU 26 2HB LEU 26 -4.026 -8.224 3.744 221 2HB LEU 26 1HB LEU 26 -5.421 -8.146 2.672 222 HG LEU 26 HG LEU 26 -4.312 -5.753 4.154 223 1HD1 LEU 26 2HD1 LEU 26 -3.121 -7.032 2.025 224 2HD1 LEU 26 1HD1 LEU 26 -4.131 -5.830 1.223 225 3HD1 LEU 26 3HD1 LEU 26 -2.930 -5.322 2.412 226 1HD2 LEU 26 1HD2 LEU 26 -6.819 -6.188 3.055 227 2HD2 LEU 26 3HD2 LEU 26 -6.088 -4.606 3.328 228 3HD2 LEU 26 2HD2 LEU 26 -5.952 -5.380 1.749 229 HA PRO 27 HA PRO 27 -7.122 -11.617 5.895 230 1HB PRO 27 2HB PRO 27 -7.766 -12.992 3.603 231 2HB PRO 27 1HB PRO 27 -8.900 -11.944 4.478 232 1HG PRO 27 2HG PRO 27 -7.432 -11.414 1.931 233 2HG PRO 27 1HG PRO 27 -9.003 -10.793 2.470 234 1HD PRO 27 2HD PRO 27 -6.581 -9.382 2.520 235 2HD PRO 27 1HD PRO 27 -8.042 -8.939 3.431 236 H GLU 28 H GLU 28 -6.459 -14.031 5.020 237 HA GLU 28 HA GLU 28 -3.540 -13.977 4.941 238 1HB GLU 28 2HB GLU 28 -4.667 -15.657 6.299 239 2HB GLU 28 1HB GLU 28 -5.529 -16.264 4.881 240 1HG GLU 28 2HG GLU 28 -3.741 -17.460 4.167 241 2HG GLU 28 1HG GLU 28 -2.615 -16.151 4.522 242 H TYR 29 H TYR 29 -6.143 -14.961 2.711 243 HA TYR 29 HA TYR 29 -4.313 -15.957 0.713 244 1HB TYR 29 2HB TYR 29 -6.347 -15.754 -0.806 245 2HB TYR 29 1HB TYR 29 -6.542 -16.781 0.616 246 HD1 TYR 29 HD2 TYR 29 -6.913 -13.170 -0.361 247 HD2 TYR 29 HD1 TYR 29 -8.432 -16.479 1.923 248 HE1 TYR 29 HE2 TYR 29 -8.847 -11.790 0.362 249 HE2 TYR 29 HE1 TYR 29 -10.360 -15.097 2.647 250 HH TYR 29 HH TYR 29 -11.598 -13.111 1.850 251 H TYR 30 H TYR 30 -4.759 -12.851 1.767 252 HA TYR 30 HA TYR 30 -5.059 -11.076 -0.270 253 1HB TYR 30 2HB TYR 30 -4.270 -10.411 1.958 254 2HB TYR 30 1HB TYR 30 -2.700 -11.141 1.636 255 HD1 TYR 30 HD2 TYR 30 -4.731 -9.277 -0.845 256 HD2 TYR 30 HD1 TYR 30 -1.341 -9.178 1.790 257 HE1 TYR 30 HE2 TYR 30 -3.972 -7.163 -1.898 258 HE2 TYR 30 HE1 TYR 30 -0.581 -7.069 0.737 259 HH TYR 30 HH TYR 30 -0.951 -5.574 -0.854 260 H GLY 31 H GLY 31 -4.403 -11.145 -2.360 261 1HA GLY 31 2HA GLY 31 -2.231 -12.838 -3.241 262 2HA GLY 31 1HA GLY 31 -3.132 -11.710 -4.256 263 H GLU 32 H GLU 32 -2.085 -9.921 -1.678 264 HA GLU 32 HA GLU 32 -0.484 -8.189 -1.624 265 1HB GLU 32 2HB GLU 32 1.340 -10.426 -2.553 266 2HB GLU 32 1HB GLU 32 1.804 -8.987 -1.644 267 1HG GLU 32 2HG GLU 32 1.392 -10.088 0.272 268 2HG GLU 32 1HG GLU 32 -0.300 -10.244 -0.201 269 H ASN 33 H ASN 33 -1.926 -8.037 -3.947 270 HA ASN 33 HA ASN 33 0.148 -7.107 -5.857 271 1HB ASN 33 2HB ASN 33 -1.561 -8.070 -7.665 272 2HB ASN 33 1HB ASN 33 -0.283 -9.079 -6.991 273 1HD2 ASN 33 2HD2 ASN 33 -2.950 -11.341 -6.298 274 2HD2 ASN 33 1HD2 ASN 33 -1.646 -11.015 -7.334 275 H LEU 34 H LEU 34 -1.521 -6.235 -7.874 276 HA LEU 34 HA LEU 34 -2.786 -3.926 -6.597 277 1HB LEU 34 2HB LEU 34 -3.287 -4.410 -9.474 278 2HB LEU 34 1HB LEU 34 -2.718 -2.952 -8.660 279 HG LEU 34 HG LEU 34 -0.575 -4.561 -8.278 280 1HD1 LEU 34 2HD1 LEU 34 -1.893 -6.284 -9.734 281 2HD1 LEU 34 1HD1 LEU 34 -1.426 -5.249 -11.085 282 3HD1 LEU 34 3HD1 LEU 34 -0.187 -6.011 -10.088 283 1HD2 LEU 34 2HD2 LEU 34 -1.280 -2.835 -10.656 284 2HD2 LEU 34 1HD2 LEU 34 -0.439 -2.339 -9.187 285 3HD2 LEU 34 3HD2 LEU 34 0.352 -3.420 -10.335 286 H ASP 35 H ASP 35 -3.810 -6.909 -8.119 287 HA ASP 35 HA ASP 35 -6.589 -6.193 -8.348 288 1HB ASP 35 2HB ASP 35 -6.801 -8.778 -8.361 289 2HB ASP 35 1HB ASP 35 -5.991 -7.995 -9.709 290 H ALA 36 H ALA 36 -4.789 -8.142 -5.928 291 HA ALA 36 HA ALA 36 -7.142 -8.513 -4.279 292 1HB ALA 36 1HB ALA 36 -4.841 -9.854 -4.383 293 2HB ALA 36 3HB ALA 36 -4.410 -8.721 -3.101 294 3HB ALA 36 2HB ALA 36 -5.798 -9.793 -2.901 295 H LEU 37 H LEU 37 -4.352 -6.379 -4.133 296 HA LEU 37 HA LEU 37 -5.031 -5.065 -1.681 297 1HB LEU 37 2HB LEU 37 -2.829 -4.825 -2.768 298 2HB LEU 37 1HB LEU 37 -3.592 -3.957 -4.097 299 HG LEU 37 HG LEU 37 -4.487 -2.674 -1.762 300 1HD1 LEU 37 3HD1 LEU 37 -1.570 -3.454 -1.651 301 2HD1 LEU 37 2HD1 LEU 37 -2.164 -1.992 -0.862 302 3HD1 LEU 37 1HD1 LEU 37 -2.784 -3.571 -0.376 303 1HD2 LEU 37 1HD2 LEU 37 -2.801 -2.116 -4.124 304 2HD2 LEU 37 3HD2 LEU 37 -4.134 -1.182 -3.447 305 3HD2 LEU 37 2HD2 LEU 37 -2.522 -1.045 -2.752 306 H TRP 38 H TRP 38 -5.599 -4.092 -5.055 307 HA TRP 38 HA TRP 38 -7.215 -1.827 -4.510 308 1HB TRP 38 2HB TRP 38 -6.368 -2.284 -6.751 309 2HB TRP 38 1HB TRP 38 -7.234 -3.808 -6.793 310 HD1 TRP 38 HD1 TRP 38 -9.217 -3.714 -8.226 311 HE1 TRP 38 HE1 TRP 38 -11.014 -1.982 -8.874 312 HE3 TRP 38 HE3 TRP 38 -7.607 0.299 -5.501 313 HZ2 TRP 38 HZ2 TRP 38 -11.662 0.744 -8.331 314 HZ3 TRP 38 HZ3 TRP 38 -8.813 2.454 -5.615 315 HH2 TRP 38 HH2 TRP 38 -10.844 2.680 -7.014 316 H ASP 39 H ASP 39 -7.973 -5.218 -4.898 317 HA ASP 39 HA ASP 39 -10.792 -5.047 -4.624 318 1HB ASP 39 2HB ASP 39 -8.750 -7.143 -4.418 319 2HB ASP 39 1HB ASP 39 -10.133 -7.414 -3.355 320 H ALA 40 H ALA 40 -8.200 -4.942 -2.289 321 HA ALA 40 HA ALA 40 -10.026 -5.132 0.005 322 1HB ALA 40 2HB ALA 40 -7.480 -5.795 -0.125 323 2HB ALA 40 1HB ALA 40 -7.220 -4.087 0.228 324 3HB ALA 40 3HB ALA 40 -8.131 -5.092 1.356 325 H LEU 41 H LEU 41 -7.664 -2.595 -0.807 326 HA LEU 41 HA LEU 41 -8.547 -0.483 0.630 327 1HB LEU 41 2HB LEU 41 -7.506 -0.625 -2.160 328 2HB LEU 41 1HB LEU 41 -8.108 0.924 -1.574 329 HG LEU 41 HG LEU 41 -6.294 -0.571 0.251 330 1HD1 LEU 41 3HD1 LEU 41 -5.232 -0.833 -2.001 331 2HD1 LEU 41 2HD1 LEU 41 -5.261 0.923 -2.187 332 3HD1 LEU 41 1HD1 LEU 41 -4.282 0.184 -0.913 333 1HD2 LEU 41 2HD2 LEU 41 -6.578 2.325 -0.592 334 2HD2 LEU 41 1HD2 LEU 41 -7.185 1.605 0.898 335 3HD2 LEU 41 3HD2 LEU 41 -5.445 1.742 0.631 336 H THR 42 H THR 42 -9.845 -1.023 -2.620 337 HA THR 42 HA THR 42 -12.182 0.632 -1.948 338 HB THR 42 HB THR 42 -11.143 0.757 -4.205 339 HG1 THR 42 HG1 THR 42 -13.157 0.481 -5.332 340 1HG2 THR 42 2HG2 THR 42 -11.533 -2.131 -4.018 341 2HG2 THR 42 1HG2 THR 42 -12.171 -1.460 -5.519 342 3HG2 THR 42 3HG2 THR 42 -10.478 -1.207 -5.090 343 H GLY 43 H GLY 43 -12.252 -1.436 -0.214 344 1HA GLY 43 2HA GLY 43 -14.713 -2.530 -0.199 345 2HA GLY 43 1HA GLY 43 -13.907 -3.602 -1.346 346 H TRP 44 H TRP 44 -12.354 -2.138 1.513 347 HA TRP 44 HA TRP 44 -12.667 -4.453 3.207 348 1HB TRP 44 2HB TRP 44 -11.197 -5.520 1.552 349 2HB TRP 44 1HB TRP 44 -10.042 -4.199 1.714 350 HD1 TRP 44 HD1 TRP 44 -9.167 -3.814 4.381 351 HE1 TRP 44 HE1 TRP 44 -8.448 -5.643 6.053 352 HE3 TRP 44 HE3 TRP 44 -11.388 -7.888 2.249 353 HZ2 TRP 44 HZ2 TRP 44 -8.772 -8.465 6.432 354 HZ3 TRP 44 HZ3 TRP 44 -11.167 -10.130 3.281 355 HH2 TRP 44 HH2 TRP 44 -9.861 -10.424 5.368 356 H VAL 45 H VAL 45 -10.441 -1.887 2.249 357 HA VAL 45 HA VAL 45 -9.447 -1.391 4.910 358 HB VAL 45 HB VAL 45 -9.288 -0.107 2.223 359 1HG1 VAL 45 2HG1 VAL 45 -8.503 1.284 4.790 360 2HG1 VAL 45 1HG1 VAL 45 -8.038 1.807 3.170 361 3HG1 VAL 45 3HG1 VAL 45 -9.737 1.810 3.642 362 1HG2 VAL 45 2HG2 VAL 45 -7.364 -1.106 4.322 363 2HG2 VAL 45 1HG2 VAL 45 -7.626 -1.737 2.696 364 3HG2 VAL 45 3HG2 VAL 45 -6.821 -0.183 2.920 365 H GLU 46 H GLU 46 -9.795 0.742 6.023 366 HA GLU 46 HA GLU 46 -12.657 1.578 5.803 367 1HB GLU 46 2HB GLU 46 -11.388 0.590 8.006 368 2HB GLU 46 1HB GLU 46 -11.114 2.319 8.222 369 1HG GLU 46 2HG GLU 46 -13.452 2.795 8.186 370 2HG GLU 46 1HG GLU 46 -13.843 1.181 7.590 371 H TYR 47 H TYR 47 -12.941 3.597 4.980 372 HA TYR 47 HA TYR 47 -10.610 5.447 5.023 373 1HB TYR 47 2HB TYR 47 -13.071 5.448 3.252 374 2HB TYR 47 1HB TYR 47 -11.696 6.546 3.101 375 HD1 TYR 47 HD2 TYR 47 -9.324 5.041 3.382 376 HD2 TYR 47 HD1 TYR 47 -13.040 3.789 1.609 377 HE1 TYR 47 HE2 TYR 47 -8.122 3.330 2.051 378 HE2 TYR 47 HE1 TYR 47 -11.821 2.084 0.280 379 HH TYR 47 HH TYR 47 -9.393 1.833 -0.581 380 HA PRO 48 HA PRO 48 -10.812 7.773 4.076 381 1HB PRO 48 2HB PRO 48 -9.653 9.821 5.503 382 2HB PRO 48 1HB PRO 48 -11.111 10.003 4.508 383 1HG PRO 48 2HG PRO 48 -10.873 9.814 7.485 384 2HG PRO 48 1HG PRO 48 -12.074 10.676 6.506 385 1HD PRO 48 2HD PRO 48 -12.520 8.221 7.770 386 2HD PRO 48 1HD PRO 48 -13.472 8.847 6.404 387 H LEU 49 H LEU 49 -8.714 7.099 3.835 388 HA LEU 49 HA LEU 49 -7.407 5.939 6.252 389 1HB LEU 49 2HB LEU 49 -7.752 4.188 4.734 390 2HB LEU 49 1HB LEU 49 -7.449 5.217 3.334 391 HG LEU 49 HG LEU 49 -5.015 5.374 4.223 392 1HD1 LEU 49 1HD1 LEU 49 -5.652 4.367 6.460 393 2HD1 LEU 49 3HD1 LEU 49 -5.881 2.833 5.624 394 3HD1 LEU 49 2HD1 LEU 49 -4.288 3.585 5.665 395 1HD2 LEU 49 2HD2 LEU 49 -6.418 3.272 2.748 396 2HD2 LEU 49 1HD2 LEU 49 -4.918 4.114 2.352 397 3HD2 LEU 49 3HD2 LEU 49 -4.893 2.727 3.443 398 H VAL 50 H VAL 50 -5.063 6.136 6.398 399 HA VAL 50 HA VAL 50 -4.015 8.559 4.979 400 HB VAL 50 HB VAL 50 -3.816 7.645 7.823 401 1HG1 VAL 50 3HG1 VAL 50 -1.550 8.762 6.219 402 2HG1 VAL 50 2HG1 VAL 50 -1.785 9.379 7.855 403 3HG1 VAL 50 1HG1 VAL 50 -1.512 7.656 7.593 404 1HG2 VAL 50 2HG2 VAL 50 -5.158 9.630 6.745 405 2HG2 VAL 50 1HG2 VAL 50 -4.324 9.875 8.280 406 3HG2 VAL 50 3HG2 VAL 50 -3.596 10.449 6.780 407 H LEU 51 H LEU 51 -2.944 7.483 3.275 408 HA LEU 51 HA LEU 51 -1.237 5.154 3.871 409 1HB LEU 51 2HB LEU 51 -2.493 5.253 1.747 410 2HB LEU 51 1HB LEU 51 -1.642 6.744 1.319 411 HG LEU 51 HG LEU 51 0.512 5.267 1.701 412 1HD1 LEU 51 2HD1 LEU 51 -1.387 3.337 2.222 413 2HD1 LEU 51 1HD1 LEU 51 -1.008 3.051 0.517 414 3HD1 LEU 51 3HD1 LEU 51 0.276 3.011 1.730 415 1HD2 LEU 51 3HD2 LEU 51 -0.759 6.234 -0.445 416 2HD2 LEU 51 2HD2 LEU 51 0.662 5.203 -0.580 417 3HD2 LEU 51 1HD2 LEU 51 -0.953 4.508 -0.762 418 H GLU 52 H GLU 52 -0.113 6.863 5.448 419 HA GLU 52 HA GLU 52 1.609 8.860 4.373 420 1HB GLU 52 2HB GLU 52 1.131 8.764 6.754 421 2HB GLU 52 1HB GLU 52 1.885 7.173 6.874 422 1HG GLU 52 2HG GLU 52 4.040 8.193 6.106 423 2HG GLU 52 1HG GLU 52 3.265 9.777 6.156 424 H TRP 53 H TRP 53 2.604 7.848 2.451 425 HA TRP 53 HA TRP 53 4.312 5.513 2.839 426 1HB TRP 53 2HB TRP 53 3.137 6.380 0.627 427 2HB TRP 53 1HB TRP 53 4.635 7.301 0.460 428 HD1 TRP 53 HD1 TRP 53 6.923 5.619 1.059 429 HE1 TRP 53 HE1 TRP 53 7.394 3.297 0.045 430 HE3 TRP 53 HE3 TRP 53 2.233 4.373 -0.513 431 HZ2 TRP 53 HZ2 TRP 53 5.960 1.194 -1.255 432 HZ3 TRP 53 HZ3 TRP 53 1.801 2.211 -1.619 433 HH2 TRP 53 HH2 TRP 53 3.664 0.611 -1.999 434 H ARG 54 H ARG 54 5.896 6.069 4.380 435 HA ARG 54 HA ARG 54 7.303 8.493 4.577 436 1HB ARG 54 2HB ARG 54 8.297 5.679 5.119 437 2HB ARG 54 1HB ARG 54 9.108 7.150 5.658 438 1HG ARG 54 2HG ARG 54 6.497 7.543 6.489 439 2HG ARG 54 1HG ARG 54 6.742 5.818 6.758 440 1HD ARG 54 2HD ARG 54 7.403 7.347 8.694 441 2HD ARG 54 1HD ARG 54 8.638 6.208 8.159 442 HE ARG 54 HE ARG 54 8.710 8.930 6.990 443 1HH1 ARG 54 2HH1 ARG 54 10.643 6.378 7.634 444 2HH1 ARG 54 1HH1 ARG 54 11.851 7.237 8.532 445 1HH2 ARG 54 1HH2 ARG 54 9.965 10.134 8.809 446 2HH2 ARG 54 2HH2 ARG 54 11.466 9.363 9.196 447 H GLN 55 H GLN 55 9.350 5.822 3.602 448 HA GLN 55 HA GLN 55 10.457 7.545 1.460 449 1HB GLN 55 2HB GLN 55 11.449 4.941 2.663 450 2HB GLN 55 1HB GLN 55 12.296 5.862 1.420 451 1HG GLN 55 2HG GLN 55 11.461 7.325 3.884 452 2HG GLN 55 1HG GLN 55 12.821 6.208 4.020 453 1HE2 GLN 55 2HE2 GLN 55 14.094 9.585 2.941 454 2HE2 GLN 55 1HE2 GLN 55 13.178 9.050 4.266 455 H PHE 56 H PHE 56 9.260 7.311 -0.398 456 HA PHE 56 HA PHE 56 8.251 4.638 -1.156 457 1HB PHE 56 2HB PHE 56 6.764 6.567 -1.470 458 2HB PHE 56 1HB PHE 56 7.964 7.339 -2.508 459 HD1 PHE 56 HD2 PHE 56 8.423 6.493 -4.760 460 HD2 PHE 56 HD1 PHE 56 5.498 4.619 -2.236 461 HE1 PHE 56 HE2 PHE 56 7.539 5.251 -6.707 462 HE2 PHE 56 HE1 PHE 56 4.615 3.374 -4.180 463 HZ PHE 56 HZ PHE 56 5.633 3.689 -6.422 464 H GLU 57 H GLU 57 10.797 6.884 -2.008 465 HA GLU 57 HA GLU 57 11.509 6.070 -4.580 466 1HB GLU 57 2HB GLU 57 12.717 7.558 -2.556 467 2HB GLU 57 1HB GLU 57 13.848 6.234 -2.836 468 1HG GLU 57 2HG GLU 57 12.660 7.747 -5.154 469 2HG GLU 57 1HG GLU 57 14.072 8.373 -4.301 470 H GLN 58 H GLN 58 13.193 4.725 -1.720 471 HA GLN 58 HA GLN 58 14.079 2.395 -3.134 472 1HB GLN 58 2HB GLN 58 14.441 1.488 -0.762 473 2HB GLN 58 1HB GLN 58 15.293 2.977 -1.172 474 1HG GLN 58 2HG GLN 58 14.195 4.130 0.422 475 2HG GLN 58 1HG GLN 58 12.633 3.548 -0.156 476 1HE2 GLN 58 2HE2 GLN 58 12.594 0.724 2.091 477 2HE2 GLN 58 1HE2 GLN 58 12.082 1.215 0.550 478 H SER 59 H SER 59 13.437 0.115 -2.255 479 HA SER 59 HA SER 59 11.768 -1.487 -1.736 480 1HB SER 59 2HB SER 59 10.680 0.797 -0.597 481 2HB SER 59 1HB SER 59 9.451 0.302 -1.761 482 HG SER 59 HG SER 59 9.237 -1.600 -0.738 483 H LYS 60 H LYS 60 10.887 1.168 -3.922 484 HA LYS 60 HA LYS 60 9.286 -0.580 -5.633 485 1HB LYS 60 2HB LYS 60 8.867 1.886 -5.235 486 2HB LYS 60 1HB LYS 60 10.297 2.203 -6.222 487 1HG LYS 60 2HG LYS 60 9.126 0.644 -7.966 488 2HG LYS 60 1HG LYS 60 7.664 1.003 -7.045 489 1HD LYS 60 2HD LYS 60 7.551 3.121 -7.837 490 2HD LYS 60 1HD LYS 60 9.282 3.385 -7.615 491 1HE LYS 60 2HE LYS 60 8.764 1.473 -9.748 492 2HE LYS 60 1HE LYS 60 7.964 3.015 -10.055 493 1HZ LYS 60 3HZ LYS 60 10.832 2.671 -9.361 494 2HZ LYS 60 2HZ LYS 60 10.226 2.989 -10.916 495 3HZ LYS 60 1HZ LYS 60 10.059 4.146 -9.683 496 H GLN 61 H GLN 61 12.623 0.439 -5.471 497 HA GLN 61 HA GLN 61 13.174 -0.106 -8.287 498 1HB GLN 61 2HB GLN 61 14.510 1.199 -6.181 499 2HB GLN 61 1HB GLN 61 15.530 -0.168 -6.630 500 1HG GLN 61 2HG GLN 61 14.844 0.726 -9.094 501 2HG GLN 61 1HG GLN 61 14.806 2.245 -8.197 502 1HE2 GLN 61 2HE2 GLN 61 18.383 0.277 -8.650 503 2HE2 GLN 61 1HE2 GLN 61 16.929 -0.565 -8.899 504 H LEU 62 H LEU 62 14.583 -1.535 -5.421 505 HA LEU 62 HA LEU 62 15.772 -3.784 -6.302 506 1HB LEU 62 2HB LEU 62 14.098 -4.718 -4.161 507 2HB LEU 62 1HB LEU 62 15.819 -4.342 -4.128 508 HG LEU 62 HG LEU 62 15.244 -1.934 -3.784 509 1HD1 LEU 62 3HD1 LEU 62 12.774 -2.613 -4.719 510 2HD1 LEU 62 2HD1 LEU 62 12.478 -2.622 -2.987 511 3HD1 LEU 62 1HD1 LEU 62 13.090 -1.164 -3.770 512 1HD2 LEU 62 1HD2 LEU 62 14.335 -4.062 -1.863 513 2HD2 LEU 62 3HD2 LEU 62 15.753 -3.016 -1.772 514 3HD2 LEU 62 2HD2 LEU 62 14.149 -2.357 -1.451 515 H THR 63 H THR 63 12.316 -3.328 -6.308 516 HA THR 63 HA THR 63 11.951 -6.067 -7.402 517 HB THR 63 HB THR 63 10.499 -5.337 -5.501 518 HG1 THR 63 HG1 THR 63 8.935 -6.451 -6.338 519 1HG2 THR 63 2HG2 THR 63 10.001 -3.117 -7.396 520 2HG2 THR 63 1HG2 THR 63 8.594 -3.722 -6.522 521 3HG2 THR 63 3HG2 THR 63 9.991 -3.119 -5.634 522 H GLU 64 H GLU 64 9.340 -4.647 -8.585 523 HA GLU 64 HA GLU 64 10.676 -3.353 -10.905 524 1HB GLU 64 2HB GLU 64 9.115 -4.657 -12.413 525 2HB GLU 64 1HB GLU 64 10.369 -5.630 -11.643 526 1HG GLU 64 2HG GLU 64 8.512 -5.897 -9.757 527 2HG GLU 64 1HG GLU 64 7.428 -5.564 -11.108 528 H ASN 65 H ASN 65 7.560 -4.195 -9.387 529 HA ASN 65 HA ASN 65 6.688 -1.402 -9.633 530 1HB ASN 65 2HB ASN 65 5.956 -3.344 -11.614 531 2HB ASN 65 1HB ASN 65 4.518 -2.918 -10.685 532 1HD2 ASN 65 2HD2 ASN 65 4.275 -0.128 -12.869 533 2HD2 ASN 65 1HD2 ASN 65 3.596 -1.616 -12.417 534 H GLY 66 H GLY 66 7.115 -3.714 -7.646 535 1HA GLY 66 2HA GLY 66 4.589 -4.499 -6.582 536 2HA GLY 66 1HA GLY 66 6.095 -4.427 -5.660 537 H ALA 67 H ALA 67 6.785 -2.110 -5.065 538 HA ALA 67 HA ALA 67 4.763 -0.876 -3.493 539 1HB ALA 67 1HB ALA 67 7.510 -0.140 -4.385 540 2HB ALA 67 3HB ALA 67 6.485 1.168 -3.792 541 3HB ALA 67 2HB ALA 67 6.839 -0.215 -2.755 542 H GLU 68 H GLU 68 6.042 0.056 -6.701 543 HA GLU 68 HA GLU 68 4.447 2.370 -7.014 544 1HB GLU 68 2HB GLU 68 6.334 1.855 -8.502 545 2HB GLU 68 1HB GLU 68 5.461 0.459 -9.135 546 1HG GLU 68 2HG GLU 68 3.670 1.945 -9.957 547 2HG GLU 68 1HG GLU 68 4.542 3.343 -9.329 548 H SER 69 H SER 69 3.623 -0.985 -7.151 549 HA SER 69 HA SER 69 1.163 -0.504 -8.687 550 1HB SER 69 2HB SER 69 2.478 -2.921 -7.477 551 2HB SER 69 1HB SER 69 0.781 -2.995 -7.937 552 HG SER 69 HG SER 69 2.332 -3.597 -9.604 553 H VAL 70 H VAL 70 1.911 -1.525 -5.310 554 HA VAL 70 HA VAL 70 -0.729 -1.584 -4.376 555 HB VAL 70 HB VAL 70 1.823 -0.654 -3.017 556 1HG1 VAL 70 2HG1 VAL 70 -0.944 -0.916 -1.791 557 2HG1 VAL 70 1HG1 VAL 70 0.543 -0.647 -0.884 558 3HG1 VAL 70 3HG1 VAL 70 -0.042 0.585 -2.000 559 1HG2 VAL 70 2HG2 VAL 70 1.076 -3.163 -3.626 560 2HG2 VAL 70 1HG2 VAL 70 1.941 -2.788 -2.136 561 3HG2 VAL 70 3HG2 VAL 70 0.189 -2.986 -2.112 562 H LEU 71 H LEU 71 1.551 1.011 -4.898 563 HA LEU 71 HA LEU 71 -0.167 3.035 -3.898 564 1HB LEU 71 2HB LEU 71 2.390 3.114 -4.281 565 2HB LEU 71 1HB LEU 71 1.975 3.544 -5.941 566 HG LEU 71 HG LEU 71 0.914 5.544 -5.286 567 1HD1 LEU 71 3HD1 LEU 71 0.665 4.162 -2.650 568 2HD1 LEU 71 2HD1 LEU 71 0.718 5.930 -2.661 569 3HD1 LEU 71 1HD1 LEU 71 -0.549 5.076 -3.559 570 1HD2 LEU 71 3HD2 LEU 71 3.493 5.243 -4.816 571 2HD2 LEU 71 2HD2 LEU 71 2.666 6.726 -4.338 572 3HD2 LEU 71 1HD2 LEU 71 2.996 5.472 -3.140 573 H GLN 72 H GLN 72 0.469 1.890 -7.243 574 HA GLN 72 HA GLN 72 -1.127 3.798 -8.562 575 1HB GLN 72 2HB GLN 72 -0.423 0.953 -9.075 576 2HB GLN 72 1HB GLN 72 -1.808 1.591 -9.962 577 1HG GLN 72 2HG GLN 72 0.248 3.566 -10.037 578 2HG GLN 72 1HG GLN 72 0.972 2.021 -10.483 579 1HE2 GLN 72 2HE2 GLN 72 -0.549 1.983 -13.653 580 2HE2 GLN 72 1HE2 GLN 72 0.620 1.333 -12.609 581 H VAL 73 H VAL 73 -2.015 1.065 -6.620 582 HA VAL 73 HA VAL 73 -4.875 1.278 -7.187 583 HB VAL 73 HB VAL 73 -3.340 -0.323 -5.127 584 1HG1 VAL 73 3HG1 VAL 73 -5.747 0.196 -4.552 585 2HG1 VAL 73 2HG1 VAL 73 -6.200 -0.632 -6.040 586 3HG1 VAL 73 1HG1 VAL 73 -5.391 -1.520 -4.752 587 1HG2 VAL 73 2HG2 VAL 73 -3.614 -0.561 -7.921 588 2HG2 VAL 73 1HG2 VAL 73 -2.994 -1.786 -6.809 589 3HG2 VAL 73 3HG2 VAL 73 -4.711 -1.765 -7.239 590 H PHE 74 H PHE 74 -2.809 2.072 -4.360 591 HA PHE 74 HA PHE 74 -4.787 2.897 -2.598 592 1HB PHE 74 2HB PHE 74 -1.925 3.495 -3.041 593 2HB PHE 74 1HB PHE 74 -2.818 4.708 -2.142 594 HD1 PHE 74 HD2 PHE 74 -1.760 1.189 -2.207 595 HD2 PHE 74 HD1 PHE 74 -3.723 4.245 0.058 596 HE1 PHE 74 HE2 PHE 74 -1.669 -0.254 -0.202 597 HE2 PHE 74 HE1 PHE 74 -3.633 2.797 2.063 598 HZ PHE 74 HZ PHE 74 -2.620 0.564 1.924 599 H ARG 75 H ARG 75 -2.990 4.727 -5.020 600 HA ARG 75 HA ARG 75 -4.409 7.172 -4.842 601 1HB ARG 75 2HB ARG 75 -3.035 5.855 -7.207 602 2HB ARG 75 1HB ARG 75 -3.629 7.514 -7.211 603 1HG ARG 75 2HG ARG 75 -1.940 6.859 -4.892 604 2HG ARG 75 1HG ARG 75 -1.101 6.761 -6.439 605 1HD ARG 75 2HD ARG 75 -2.693 9.138 -5.432 606 2HD ARG 75 1HD ARG 75 -0.935 9.037 -5.531 607 HE ARG 75 HE ARG 75 -2.026 8.499 -8.115 608 1HH1 ARG 75 1HH2 ARG 75 -2.184 11.041 -5.817 609 2HH1 ARG 75 2HH2 ARG 75 -1.908 12.297 -6.978 610 1HH2 ARG 75 2HH1 ARG 75 -1.433 10.111 -9.626 611 2HH2 ARG 75 1HH1 ARG 75 -1.483 11.771 -9.134 612 H GLU 76 H GLU 76 -4.939 4.273 -6.915 613 HA GLU 76 HA GLU 76 -7.194 5.290 -8.328 614 1HB GLU 76 2HB GLU 76 -6.093 2.624 -7.676 615 2HB GLU 76 1HB GLU 76 -7.818 2.656 -8.047 616 1HG GLU 76 2HG GLU 76 -7.476 3.505 -10.196 617 2HG GLU 76 1HG GLU 76 -5.868 4.113 -9.801 618 H ALA 77 H ALA 77 -6.850 4.259 -5.057 619 HA ALA 77 HA ALA 77 -9.709 3.837 -4.592 620 1HB ALA 77 3HB ALA 77 -7.334 4.037 -2.704 621 2HB ALA 77 2HB ALA 77 -8.977 3.646 -2.193 622 3HB ALA 77 1HB ALA 77 -8.107 2.556 -3.272 623 H LYS 78 H LYS 78 -7.423 6.124 -3.030 624 HA LYS 78 HA LYS 78 -9.471 7.872 -2.110 625 1HB LYS 78 2HB LYS 78 -7.531 8.465 -1.058 626 2HB LYS 78 1HB LYS 78 -6.537 7.971 -2.415 627 1HG LYS 78 2HG LYS 78 -8.199 10.431 -2.745 628 2HG LYS 78 1HG LYS 78 -6.780 10.533 -1.707 629 1HD LYS 78 2HD LYS 78 -6.497 9.231 -4.389 630 2HD LYS 78 1HD LYS 78 -6.563 10.993 -4.301 631 1HE LYS 78 2HE LYS 78 -4.287 10.670 -4.024 632 2HE LYS 78 1HE LYS 78 -4.811 10.616 -2.340 633 1HZ LYS 78 2HZ LYS 78 -5.102 8.072 -3.483 634 2HZ LYS 78 1HZ LYS 78 -3.526 8.622 -3.788 635 3HZ LYS 78 3HZ LYS 78 -4.104 8.543 -2.196 636 H ALA 79 H ALA 79 -8.265 7.319 -5.252 637 HA ALA 79 HA ALA 79 -9.033 9.931 -6.358 638 1HB ALA 79 1HB ALA 79 -7.146 8.482 -7.266 639 2HB ALA 79 3HB ALA 79 -8.392 7.373 -7.854 640 3HB ALA 79 2HB ALA 79 -8.316 9.026 -8.469 641 H GLU 80 H GLU 80 -9.937 6.641 -7.279 642 HA GLU 80 HA GLU 80 -12.267 7.246 -8.664 643 1HB GLU 80 2HB GLU 80 -11.769 4.788 -6.966 644 2HB GLU 80 1HB GLU 80 -12.877 4.924 -8.326 645 1HG GLU 80 2HG GLU 80 -10.108 5.747 -8.909 646 2HG GLU 80 1HG GLU 80 -10.322 4.031 -8.567 647 H GLY 81 H GLY 81 -12.233 6.049 -5.252 648 1HA GLY 81 2HA GLY 81 -14.426 7.956 -4.675 649 2HA GLY 81 1HA GLY 81 -14.838 6.244 -4.542 650 H ALA 82 H ALA 82 -12.379 5.313 -3.474 651 HA ALA 82 HA ALA 82 -12.712 5.414 -0.761 652 1HB ALA 82 2HB ALA 82 -10.682 4.542 -2.474 653 2HB ALA 82 1HB ALA 82 -9.872 5.634 -1.347 654 3HB ALA 82 3HB ALA 82 -10.783 4.251 -0.738 655 H ASP 83 H ASP 83 -11.570 6.595 0.955 656 HA ASP 83 HA ASP 83 -11.008 9.437 0.200 657 1HB ASP 83 2HB ASP 83 -12.354 8.225 2.619 658 2HB ASP 83 1HB ASP 83 -11.599 9.817 2.711 659 H ILE 84 H ILE 84 -8.961 7.822 -0.132 660 HA ILE 84 HA ILE 84 -7.422 7.490 2.355 661 HB ILE 84 HB ILE 84 -6.855 6.816 -0.542 662 1HG1 ILE 84 2HG1 ILE 84 -6.997 4.768 1.590 663 2HG1 ILE 84 1HG1 ILE 84 -8.519 5.570 1.196 664 1HG2 ILE 84 1HG2 ILE 84 -4.762 7.325 0.690 665 2HG2 ILE 84 3HG2 ILE 84 -5.234 6.170 1.938 666 3HG2 ILE 84 2HG2 ILE 84 -4.888 5.614 0.299 667 1HD1 ILE 84 2HD1 ILE 84 -8.112 5.069 -1.210 668 2HD1 ILE 84 1HD1 ILE 84 -6.665 4.175 -0.750 669 3HD1 ILE 84 3HD1 ILE 84 -8.252 3.610 -0.229 670 H THR 85 H THR 85 -5.200 8.274 2.476 671 HA THR 85 HA THR 85 -4.787 10.858 1.030 672 HB THR 85 HB THR 85 -3.910 10.127 3.846 673 HG1 THR 85 HG1 THR 85 -6.171 10.570 3.550 674 1HG2 THR 85 2HG2 THR 85 -3.482 12.518 2.068 675 2HG2 THR 85 1HG2 THR 85 -3.477 12.693 3.823 676 3HG2 THR 85 3HG2 THR 85 -2.302 11.637 3.039 677 H ILE 86 H ILE 86 -3.492 9.907 -0.587 678 HA ILE 86 HA ILE 86 -1.354 8.056 0.061 679 HB ILE 86 HB ILE 86 -2.441 9.358 -2.374 680 1HG1 ILE 86 2HG1 ILE 86 -2.526 7.162 -3.184 681 2HG1 ILE 86 1HG1 ILE 86 -1.173 6.635 -2.195 682 1HG2 ILE 86 3HG2 ILE 86 0.471 8.788 -2.009 683 2HG2 ILE 86 2HG2 ILE 86 -0.270 8.358 -3.551 684 3HG2 ILE 86 1HG2 ILE 86 -0.317 10.028 -2.986 685 1HD1 ILE 86 3HD1 ILE 86 -3.354 7.544 -0.512 686 2HD1 ILE 86 2HD1 ILE 86 -3.918 6.322 -1.646 687 3HD1 ILE 86 1HD1 ILE 86 -2.574 5.959 -0.557 688 H ILE 87 H ILE 87 0.310 8.801 1.265 689 HA ILE 87 HA ILE 87 1.331 11.553 0.760 690 HB ILE 87 HB ILE 87 2.348 9.681 2.892 691 1HG1 ILE 87 2HG1 ILE 87 -0.185 11.341 2.872 692 2HG1 ILE 87 1HG1 ILE 87 -0.014 9.633 3.271 693 1HG2 ILE 87 2HG2 ILE 87 3.483 11.878 2.337 694 2HG2 ILE 87 1HG2 ILE 87 2.008 12.692 2.856 695 3HG2 ILE 87 3HG2 ILE 87 2.938 11.735 4.009 696 1HD1 ILE 87 2HD1 ILE 87 1.661 10.663 5.109 697 2HD1 ILE 87 1HD1 ILE 87 0.567 12.034 4.931 698 3HD1 ILE 87 3HD1 ILE 87 -0.064 10.459 5.413 699 H LEU 88 H LEU 88 3.247 11.874 -0.299 700 HA LEU 88 HA LEU 88 5.110 9.571 -0.586 701 1HB LEU 88 2HB LEU 88 3.791 11.135 -2.795 702 2HB LEU 88 1HB LEU 88 5.382 10.414 -3.042 703 HG LEU 88 HG LEU 88 3.193 8.728 -1.877 704 1HD1 LEU 88 2HD1 LEU 88 2.815 10.087 -4.276 705 2HD1 LEU 88 1HD1 LEU 88 3.432 8.514 -4.782 706 3HD1 LEU 88 3HD1 LEU 88 1.983 8.613 -3.782 707 1HD2 LEU 88 3HD2 LEU 88 5.871 8.393 -2.822 708 2HD2 LEU 88 2HD2 LEU 88 4.795 7.169 -2.150 709 3HD2 LEU 88 1HD2 LEU 88 4.802 7.480 -3.886 710 H SER 89 HN SER 89 4.783 12.553 0.550 711 HA SER 89 HA SER 89 6.236 14.369 0.894 712 1HB SER 89 2HB SER 89 7.656 12.808 1.998 713 2HB SER 89 1HB SER 89 8.127 12.047 0.477 714 HG SER 89 HG SER 89 9.352 13.991 1.728 No H/Q in entry = 714 Start of MODEL 3 1 1H LYS 1 3H LYS 1 -8.508 4.497 7.736 2 2H LYS 1 2H LYS 1 -9.371 4.076 9.137 3 3H LYS 1 1H LYS 1 -8.645 5.607 9.010 4 HA LYS 1 HA LYS 1 -7.329 4.202 10.446 5 1HB LYS 1 2HB LYS 1 -7.982 2.278 8.386 6 2HB LYS 1 1HB LYS 1 -6.233 2.360 8.610 7 1HG LYS 1 2HG LYS 1 -6.720 0.863 10.288 8 2HG LYS 1 1HG LYS 1 -6.968 2.358 11.190 9 1HD LYS 1 2HD LYS 1 -9.360 1.646 9.714 10 2HD LYS 1 1HD LYS 1 -8.857 0.322 10.767 11 1HE LYS 1 2HE LYS 1 -9.159 3.200 11.670 12 2HE LYS 1 1HE LYS 1 -10.380 1.950 11.907 13 1HZ LYS 1 3HZ LYS 1 -7.607 1.533 12.816 14 2HZ LYS 1 2HZ LYS 1 -8.706 2.402 13.776 15 3HZ LYS 1 1HZ LYS 1 -9.030 0.788 13.359 16 H LYS 2 H LYS 2 -4.842 3.933 10.077 17 HA LYS 2 HA LYS 2 -4.013 5.770 7.881 18 1HB LYS 2 2HB LYS 2 -2.701 7.072 9.290 19 2HB LYS 2 1HB LYS 2 -4.064 6.701 10.340 20 1HG LYS 2 2HG LYS 2 -2.734 4.748 11.235 21 2HG LYS 2 1HG LYS 2 -1.353 5.350 10.317 22 1HD LYS 2 2HD LYS 2 -2.863 7.097 12.266 23 2HD LYS 2 1HD LYS 2 -1.496 6.098 12.764 24 1HE LYS 2 2HE LYS 2 -0.015 7.550 11.879 25 2HE LYS 2 1HE LYS 2 -0.881 7.585 10.343 26 1HZ LYS 2 2HZ LYS 2 -1.751 9.082 12.752 27 2HZ LYS 2 1HZ LYS 2 -0.780 9.754 11.530 28 3HZ LYS 2 3HZ LYS 2 -2.353 9.231 11.170 29 H ALA 3 H ALA 3 -2.943 4.481 6.498 30 HA ALA 3 HA ALA 3 -1.246 2.286 7.525 31 1HB ALA 3 3HB ALA 3 -2.557 2.954 4.964 32 2HB ALA 3 2HB ALA 3 -0.937 2.277 4.795 33 3HB ALA 3 1HB ALA 3 -2.184 1.375 5.657 34 H VAL 4 H VAL 4 1.012 2.302 7.292 35 HA VAL 4 HA VAL 4 2.196 4.769 6.107 36 HB VAL 4 HB VAL 4 3.044 3.482 8.721 37 1HG1 VAL 4 2HG1 VAL 4 4.104 5.722 7.021 38 2HG1 VAL 4 1HG1 VAL 4 4.301 5.792 8.772 39 3HG1 VAL 4 3HG1 VAL 4 4.988 4.447 7.862 40 1HG2 VAL 4 1HG2 VAL 4 0.877 4.709 8.854 41 2HG2 VAL 4 3HG2 VAL 4 2.153 5.509 9.772 42 3HG2 VAL 4 2HG2 VAL 4 1.672 6.139 8.196 43 H ILE 5 H ILE 5 3.691 4.259 4.629 44 HA ILE 5 HA ILE 5 4.776 1.504 4.544 45 HB ILE 5 HB ILE 5 5.249 3.693 2.511 46 1HG1 ILE 5 2HG1 ILE 5 2.725 3.159 3.243 47 2HG1 ILE 5 1HG1 ILE 5 3.152 3.427 1.568 48 1HG2 ILE 5 2HG2 ILE 5 5.647 0.776 2.706 49 2HG2 ILE 5 1HG2 ILE 5 4.941 1.319 1.184 50 3HG2 ILE 5 3HG2 ILE 5 6.490 1.971 1.719 51 1HD1 ILE 5 1HD1 ILE 5 3.460 0.635 2.445 52 2HD1 ILE 5 3HD1 ILE 5 1.805 1.238 2.497 53 3HD1 ILE 5 2HD1 ILE 5 2.710 1.284 0.985 54 H ASN 6 H ASN 6 6.763 1.157 5.398 55 HA ASN 6 HA ASN 6 8.565 3.521 5.670 56 1HB ASN 6 2HB ASN 6 8.978 1.058 7.311 57 2HB ASN 6 1HB ASN 6 9.288 2.743 7.725 58 1HD2 ASN 6 2HD2 ASN 6 6.342 2.752 9.621 59 2HD2 ASN 6 1HD2 ASN 6 8.005 3.076 9.536 60 H GLY 7 H GLY 7 9.828 3.334 3.832 61 1HA GLY 7 2HA GLY 7 10.698 0.784 2.792 62 2HA GLY 7 1HA GLY 7 11.322 2.365 2.298 63 H GLU 8 H GLU 8 11.646 2.638 5.457 64 HA GLU 8 HA GLU 8 14.468 1.922 5.399 65 1HB GLU 8 2HB GLU 8 13.594 3.978 6.546 66 2HB GLU 8 1HB GLU 8 12.820 2.928 7.733 67 1HG GLU 8 2HG GLU 8 14.799 3.241 8.848 68 2HG GLU 8 1HG GLU 8 15.318 1.911 7.812 69 H GLN 9 H GLN 9 11.590 0.348 6.216 70 HA GLN 9 HA GLN 9 13.104 -1.675 7.812 71 1HB GLN 9 2HB GLN 9 11.192 -0.357 8.958 72 2HB GLN 9 1HB GLN 9 10.116 -1.314 7.940 73 1HG GLN 9 2HG GLN 9 10.740 -3.335 8.955 74 2HG GLN 9 1HG GLN 9 12.248 -2.665 9.579 75 1HE2 GLN 9 2HE2 GLN 9 8.853 -2.342 11.774 76 2HE2 GLN 9 1HE2 GLN 9 8.859 -3.122 10.266 77 H ILE 10 H ILE 10 11.140 -1.040 5.074 78 HA ILE 10 HA ILE 10 10.296 -3.772 4.590 79 HB ILE 10 HB ILE 10 10.519 -1.378 2.745 80 1HG1 ILE 10 2HG1 ILE 10 8.855 -1.242 4.613 81 2HG1 ILE 10 1HG1 ILE 10 8.094 -1.263 3.022 82 1HG2 ILE 10 1HG2 ILE 10 9.787 -4.225 2.276 83 2HG2 ILE 10 3HG2 ILE 10 8.751 -3.009 1.527 84 3HG2 ILE 10 2HG2 ILE 10 10.476 -3.041 1.163 85 1HD1 ILE 10 2HD1 ILE 10 8.195 -3.921 3.521 86 2HD1 ILE 10 1HD1 ILE 10 8.053 -3.312 5.170 87 3HD1 ILE 10 3HD1 ILE 10 6.822 -2.910 3.972 88 H ARG 11 H ARG 11 12.015 -5.187 4.537 89 HA ARG 11 HA ARG 11 14.567 -4.626 3.327 90 1HB ARG 11 2HB ARG 11 13.687 -7.454 3.259 91 2HB ARG 11 1HB ARG 11 15.146 -6.748 3.958 92 1HG ARG 11 2HG ARG 11 13.642 -5.826 5.806 93 2HG ARG 11 1HG ARG 11 12.386 -6.892 5.169 94 1HD ARG 11 2HD ARG 11 13.333 -8.322 6.716 95 2HD ARG 11 1HD ARG 11 14.356 -8.689 5.328 96 HE ARG 11 HE ARG 11 16.109 -7.316 6.321 97 1HH1 ARG 11 2HH1 ARG 11 14.467 -5.380 7.863 98 2HH1 ARG 11 1HH1 ARG 11 14.671 -5.927 9.494 99 1HH2 ARG 11 1HH2 ARG 11 15.860 -9.053 8.577 100 2HH2 ARG 11 2HH2 ARG 11 15.460 -8.007 9.898 101 H SER 12 H SER 12 11.641 -6.252 2.192 102 HA SER 12 HA SER 12 12.385 -5.582 -0.592 103 1HB SER 12 2HB SER 12 13.176 -8.003 0.216 104 2HB SER 12 1HB SER 12 11.494 -8.398 -0.126 105 HG SER 12 HG SER 12 13.472 -7.346 -1.856 106 H ILE 13 H ILE 13 10.481 -6.207 -2.082 107 HA ILE 13 HA ILE 13 8.117 -4.971 -1.301 108 HB ILE 13 HB ILE 13 8.573 -5.633 -3.626 109 1HG1 ILE 13 2HG1 ILE 13 6.311 -6.508 -4.184 110 2HG1 ILE 13 1HG1 ILE 13 6.055 -6.884 -2.479 111 1HG2 ILE 13 3HG2 ILE 13 8.666 -8.290 -2.350 112 2HG2 ILE 13 2HG2 ILE 13 7.783 -8.246 -3.877 113 3HG2 ILE 13 1HG2 ILE 13 9.465 -7.717 -3.814 114 1HD1 ILE 13 2HD1 ILE 13 6.441 -4.463 -1.948 115 2HD1 ILE 13 1HD1 ILE 13 6.515 -4.139 -3.679 116 3HD1 ILE 13 3HD1 ILE 13 5.022 -4.738 -2.956 117 H SER 14 H SER 14 9.241 -8.161 -0.466 118 HA SER 14 HA SER 14 6.803 -9.415 0.241 119 1HB SER 14 2HB SER 14 9.160 -10.421 0.237 120 2HB SER 14 1HB SER 14 9.365 -9.687 1.826 121 HG SER 14 HG SER 14 8.312 -11.982 1.355 122 H ASP 15 H ASP 15 8.972 -7.433 2.296 123 HA ASP 15 HA ASP 15 7.208 -7.477 4.562 124 1HB ASP 15 2HB ASP 15 9.720 -6.192 3.783 125 2HB ASP 15 1HB ASP 15 8.713 -5.172 4.804 126 H LEU 16 H LEU 16 7.208 -5.751 1.621 127 HA LEU 16 HA LEU 16 5.817 -3.372 2.463 128 1HB LEU 16 2HB LEU 16 6.981 -3.599 0.274 129 2HB LEU 16 1HB LEU 16 5.768 -4.769 -0.228 130 HG LEU 16 HG LEU 16 4.275 -3.146 -0.753 131 1HD1 LEU 16 3HD1 LEU 16 5.106 -1.799 1.831 132 2HD1 LEU 16 2HD1 LEU 16 3.961 -1.070 0.704 133 3HD1 LEU 16 1HD1 LEU 16 3.581 -2.609 1.475 134 1HD2 LEU 16 2HD2 LEU 16 6.446 -2.277 -1.649 135 2HD2 LEU 16 1HD2 LEU 16 5.254 -1.013 -1.342 136 3HD2 LEU 16 3HD2 LEU 16 6.580 -1.270 -0.206 137 H HIS 17 H HIS 17 4.624 -6.252 0.723 138 HA HIS 17 HA HIS 17 1.871 -5.705 1.032 139 1HB HIS 17 2HB HIS 17 3.339 -8.344 0.835 140 2HB HIS 17 1HB HIS 17 1.579 -8.197 0.748 141 HD1 HIS 17 HD1 HIS 17 0.689 -6.527 -1.216 142 HD2 HIS 17 HD2 HIS 17 4.617 -7.872 -1.584 143 HE1 HIS 17 HE1 HIS 17 1.372 -6.097 -3.617 144 H GLN 18 H GLN 18 4.186 -6.749 3.331 145 HA GLN 18 HA GLN 18 2.226 -7.837 5.210 146 1HB GLN 18 2HB GLN 18 5.149 -7.116 5.535 147 2HB GLN 18 1HB GLN 18 4.172 -7.878 6.790 148 1HG GLN 18 2HG GLN 18 3.621 -9.613 4.876 149 2HG GLN 18 1HG GLN 18 5.129 -9.013 4.185 150 1HE2 GLN 18 2HE2 GLN 18 6.701 -11.459 6.224 151 2HE2 GLN 18 1HE2 GLN 18 6.290 -11.012 4.639 152 H THR 19 H THR 19 3.937 -4.857 4.676 153 HA THR 19 HA THR 19 3.106 -3.568 7.116 154 HB THR 19 HB THR 19 4.321 -2.653 4.526 155 HG1 THR 19 HG1 THR 19 5.864 -1.872 6.110 156 1HG2 THR 19 1HG2 THR 19 2.686 -1.017 6.324 157 2HG2 THR 19 3HG2 THR 19 4.325 -0.395 6.127 158 3HG2 THR 19 2HG2 THR 19 3.302 -0.647 4.712 159 H LEU 20 H LEU 20 1.802 -3.782 3.890 160 HA LEU 20 HA LEU 20 -0.394 -1.924 4.471 161 1HB LEU 20 2HB LEU 20 -0.534 -3.876 2.206 162 2HB LEU 20 1HB LEU 20 -1.041 -2.186 2.256 163 HG LEU 20 HG LEU 20 1.802 -3.188 2.217 164 1HD1 LEU 20 3HD1 LEU 20 -0.005 -2.827 0.126 165 2HD1 LEU 20 2HD1 LEU 20 0.975 -1.361 0.119 166 3HD1 LEU 20 1HD1 LEU 20 1.749 -2.940 -0.021 167 1HD2 LEU 20 2HD2 LEU 20 1.110 -1.005 3.525 168 2HD2 LEU 20 1HD2 LEU 20 2.523 -0.986 2.468 169 3HD2 LEU 20 3HD2 LEU 20 0.989 -0.323 1.903 170 H LYS 21 H LYS 21 0.227 -5.358 4.332 171 HA LYS 21 HA LYS 21 -2.498 -6.209 4.796 172 1HB LYS 21 2HB LYS 21 -0.877 -7.777 3.884 173 2HB LYS 21 1HB LYS 21 0.162 -7.578 5.298 174 1HG LYS 21 2HG LYS 21 -1.008 -9.124 6.443 175 2HG LYS 21 1HG LYS 21 -2.523 -8.280 6.115 176 1HD LYS 21 2HD LYS 21 -3.087 -9.965 4.734 177 2HD LYS 21 1HD LYS 21 -1.775 -9.459 3.669 178 1HE LYS 21 2HE LYS 21 -0.855 -11.011 5.985 179 2HE LYS 21 1HE LYS 21 -1.939 -11.913 4.926 180 1HZ LYS 21 1HZ LYS 21 0.076 -10.335 3.574 181 2HZ LYS 21 3HZ LYS 21 0.683 -11.625 4.494 182 3HZ LYS 21 2HZ LYS 21 -0.455 -11.920 3.266 183 H LYS 22 H LYS 22 0.043 -4.936 6.763 184 HA LYS 22 HA LYS 22 -1.131 -5.913 9.281 185 1HB LYS 22 2HB LYS 22 1.193 -5.774 9.465 186 2HB LYS 22 1HB LYS 22 1.283 -4.297 8.508 187 1HG LYS 22 2HG LYS 22 0.264 -3.026 10.351 188 2HG LYS 22 1HG LYS 22 0.145 -4.501 11.313 189 1HD LYS 22 2HD LYS 22 2.299 -4.341 11.959 190 2HD LYS 22 1HD LYS 22 2.840 -4.141 10.293 191 1HE LYS 22 2HE LYS 22 1.465 -1.811 11.529 192 2HE LYS 22 1HE LYS 22 3.078 -2.186 12.133 193 1HZ LYS 22 2HZ LYS 22 3.495 -2.410 9.532 194 2HZ LYS 22 1HZ LYS 22 2.248 -1.256 9.505 195 3HZ LYS 22 3HZ LYS 22 3.674 -0.941 10.368 196 H GLU 23 H GLU 23 -0.823 -2.823 7.514 197 HA GLU 23 HA GLU 23 -2.282 -1.345 9.553 198 1HB GLU 23 2HB GLU 23 -1.738 -0.569 6.680 199 2HB GLU 23 1HB GLU 23 -2.187 0.518 7.995 200 1HG GLU 23 2HG GLU 23 0.242 -1.216 8.301 201 2HG GLU 23 1HG GLU 23 0.349 0.249 7.324 202 H LEU 24 H LEU 24 -3.049 -2.163 6.214 203 HA LEU 24 HA LEU 24 -5.831 -1.521 6.415 204 1HB LEU 24 2HB LEU 24 -4.626 -3.524 4.494 205 2HB LEU 24 1HB LEU 24 -6.039 -2.496 4.246 206 HG LEU 24 HG LEU 24 -3.373 -1.228 4.803 207 1HD1 LEU 24 2HD1 LEU 24 -3.290 -2.989 2.891 208 2HD1 LEU 24 1HD1 LEU 24 -4.268 -1.822 1.998 209 3HD1 LEU 24 3HD1 LEU 24 -2.666 -1.371 2.583 210 1HD2 LEU 24 3HD2 LEU 24 -5.924 -0.282 4.417 211 2HD2 LEU 24 2HD2 LEU 24 -4.450 0.656 4.200 212 3HD2 LEU 24 1HD2 LEU 24 -5.216 -0.115 2.810 213 H ALA 25 H ALA 25 -3.943 -4.272 7.340 214 HA ALA 25 HA ALA 25 -4.577 -6.208 8.508 215 1HB ALA 25 3HB ALA 25 -6.499 -4.283 9.161 216 2HB ALA 25 2HB ALA 25 -7.437 -5.692 8.661 217 3HB ALA 25 1HB ALA 25 -6.260 -5.835 9.966 218 H LEU 26 H LEU 26 -4.337 -6.480 5.828 219 HA LEU 26 HA LEU 26 -6.730 -7.466 4.533 220 1HB LEU 26 2HB LEU 26 -3.867 -8.138 3.790 221 2HB LEU 26 1HB LEU 26 -5.274 -8.088 2.731 222 HG LEU 26 HG LEU 26 -4.165 -5.677 4.186 223 1HD1 LEU 26 2HD1 LEU 26 -2.919 -6.866 2.124 224 2HD1 LEU 26 1HD1 LEU 26 -4.109 -5.927 1.221 225 3HD1 LEU 26 3HD1 LEU 26 -2.978 -5.112 2.303 226 1HD2 LEU 26 1HD2 LEU 26 -6.689 -6.209 3.006 227 2HD2 LEU 26 3HD2 LEU 26 -6.078 -4.657 3.579 228 3HD2 LEU 26 2HD2 LEU 26 -5.830 -5.137 1.901 229 HA PRO 27 HA PRO 27 -6.858 -11.580 5.997 230 1HB PRO 27 2HB PRO 27 -7.530 -12.979 3.726 231 2HB PRO 27 1HB PRO 27 -8.660 -11.942 4.619 232 1HG PRO 27 2HG PRO 27 -7.263 -11.412 2.034 233 2HG PRO 27 1HG PRO 27 -8.821 -10.798 2.611 234 1HD PRO 27 2HD PRO 27 -6.398 -9.378 2.591 235 2HD PRO 27 1HD PRO 27 -7.848 -8.925 3.514 236 H GLU 28 H GLU 28 -6.199 -13.991 5.074 237 HA GLU 28 HA GLU 28 -3.282 -13.923 4.968 238 1HB GLU 28 2HB GLU 28 -4.393 -15.626 6.313 239 2HB GLU 28 1HB GLU 28 -5.261 -16.218 4.894 240 1HG GLU 28 2HG GLU 28 -3.110 -16.809 3.828 241 2HG GLU 28 1HG GLU 28 -2.248 -16.235 5.257 242 H TYR 29 H TYR 29 -5.902 -14.905 2.757 243 HA TYR 29 HA TYR 29 -4.071 -15.821 0.712 244 1HB TYR 29 2HB TYR 29 -6.144 -15.701 -0.755 245 2HB TYR 29 1HB TYR 29 -6.269 -16.739 0.668 246 HD1 TYR 29 HD1 TYR 29 -6.765 -13.117 -0.230 247 HD2 TYR 29 HD2 TYR 29 -8.178 -16.536 1.958 248 HE1 TYR 29 HE1 TYR 29 -8.731 -11.815 0.543 249 HE2 TYR 29 HE2 TYR 29 -10.138 -15.231 2.736 250 HH TYR 29 HH TYR 29 -11.414 -12.987 1.603 251 H TYR 30 H TYR 30 -4.559 -12.762 1.822 252 HA TYR 30 HA TYR 30 -5.036 -10.953 -0.141 253 1HB TYR 30 2HB TYR 30 -4.125 -10.293 2.028 254 2HB TYR 30 1HB TYR 30 -2.567 -11.008 1.618 255 HD1 TYR 30 HD1 TYR 30 -4.724 -9.141 -0.754 256 HD2 TYR 30 HD2 TYR 30 -1.228 -9.027 1.741 257 HE1 TYR 30 HE1 TYR 30 -4.030 -7.005 -1.816 258 HE2 TYR 30 HE2 TYR 30 -0.534 -6.903 0.676 259 HH TYR 30 HH TYR 30 -1.054 -5.803 -1.741 260 H GLY 31 H GLY 31 -4.576 -11.056 -2.271 261 1HA GLY 31 2HA GLY 31 -2.551 -12.653 -3.450 262 2HA GLY 31 1HA GLY 31 -3.381 -11.326 -4.268 263 H GLU 32 H GLU 32 -2.230 -9.690 -1.788 264 HA GLU 32 HA GLU 32 -0.422 -8.204 -1.576 265 1HB GLU 32 2HB GLU 32 1.006 -10.702 -2.538 266 2HB GLU 32 1HB GLU 32 1.834 -9.268 -1.934 267 1HG GLU 32 2HG GLU 32 1.567 -10.037 0.162 268 2HG GLU 32 1HG GLU 32 -0.178 -9.895 -0.040 269 H ASN 33 H ASN 33 -1.803 -7.580 -3.760 270 HA ASN 33 HA ASN 33 0.255 -6.660 -5.628 271 1HB ASN 33 2HB ASN 33 -1.279 -7.656 -7.560 272 2HB ASN 33 1HB ASN 33 -0.010 -8.633 -6.826 273 1HD2 ASN 33 2HD2 ASN 33 -2.707 -10.971 -6.464 274 2HD2 ASN 33 1HD2 ASN 33 -1.408 -10.539 -7.466 275 H LEU 34 H LEU 34 -1.440 -5.855 -7.704 276 HA LEU 34 HA LEU 34 -2.852 -3.643 -6.403 277 1HB LEU 34 2HB LEU 34 -3.375 -3.973 -9.266 278 2HB LEU 34 1HB LEU 34 -2.685 -2.599 -8.406 279 HG LEU 34 HG LEU 34 -0.597 -4.268 -8.220 280 1HD1 LEU 34 1HD1 LEU 34 -2.050 -5.974 -9.542 281 2HD1 LEU 34 3HD1 LEU 34 -1.688 -4.966 -10.944 282 3HD1 LEU 34 2HD1 LEU 34 -0.378 -5.739 -10.052 283 1HD2 LEU 34 3HD2 LEU 34 -1.443 -2.472 -10.487 284 2HD2 LEU 34 2HD2 LEU 34 -0.336 -2.113 -9.163 285 3HD2 LEU 34 1HD2 LEU 34 0.153 -3.218 -10.448 286 H ASP 35 H ASP 35 -3.653 -6.699 -7.858 287 HA ASP 35 HA ASP 35 -6.467 -6.149 -8.208 288 1HB ASP 35 2HB ASP 35 -6.518 -8.745 -8.161 289 2HB ASP 35 1HB ASP 35 -5.745 -7.938 -9.518 290 H ALA 36 H ALA 36 -4.656 -8.026 -5.731 291 HA ALA 36 HA ALA 36 -7.038 -8.440 -4.142 292 1HB ALA 36 3HB ALA 36 -4.731 -9.747 -4.168 293 2HB ALA 36 2HB ALA 36 -4.319 -8.579 -2.911 294 3HB ALA 36 1HB ALA 36 -5.701 -9.656 -2.695 295 H LEU 37 H LEU 37 -4.390 -6.148 -4.063 296 HA LEU 37 HA LEU 37 -5.140 -4.867 -1.593 297 1HB LEU 37 2HB LEU 37 -2.924 -4.553 -2.671 298 2HB LEU 37 1HB LEU 37 -3.714 -3.683 -3.984 299 HG LEU 37 HG LEU 37 -4.684 -2.486 -1.651 300 1HD1 LEU 37 2HD1 LEU 37 -1.760 -3.208 -1.454 301 2HD1 LEU 37 1HD1 LEU 37 -2.402 -1.768 -0.663 302 3HD1 LEU 37 3HD1 LEU 37 -3.013 -3.363 -0.223 303 1HD2 LEU 37 3HD2 LEU 37 -2.722 -1.780 -3.808 304 2HD2 LEU 37 2HD2 LEU 37 -4.316 -1.103 -3.480 305 3HD2 LEU 37 1HD2 LEU 37 -2.947 -0.665 -2.457 306 H TRP 38 H TRP 38 -5.669 -3.953 -4.986 307 HA TRP 38 HA TRP 38 -7.416 -1.773 -4.532 308 1HB TRP 38 2HB TRP 38 -6.460 -2.334 -6.740 309 2HB TRP 38 1HB TRP 38 -7.369 -3.835 -6.748 310 HD1 TRP 38 HD1 TRP 38 -9.271 -3.708 -8.301 311 HE1 TRP 38 HE1 TRP 38 -11.014 -1.956 -9.030 312 HE3 TRP 38 HE3 TRP 38 -7.735 0.297 -5.512 313 HZ2 TRP 38 HZ2 TRP 38 -11.655 0.776 -8.519 314 HZ3 TRP 38 HZ3 TRP 38 -8.912 2.460 -5.682 315 HH2 TRP 38 HH2 TRP 38 -10.876 2.705 -7.171 316 H ASP 39 H ASP 39 -7.971 -5.215 -4.736 317 HA ASP 39 HA ASP 39 -10.830 -5.121 -4.519 318 1HB ASP 39 2HB ASP 39 -8.737 -7.165 -4.373 319 2HB ASP 39 1HB ASP 39 -10.086 -7.485 -3.278 320 H ALA 40 H ALA 40 -8.234 -4.946 -2.212 321 HA ALA 40 HA ALA 40 -10.001 -5.237 0.116 322 1HB ALA 40 2HB ALA 40 -7.417 -5.758 -0.091 323 2HB ALA 40 1HB ALA 40 -7.253 -4.046 0.302 324 3HB ALA 40 3HB ALA 40 -8.078 -5.133 1.420 325 H LEU 41 H LEU 41 -7.813 -2.569 -0.796 326 HA LEU 41 HA LEU 41 -8.824 -0.515 0.681 327 1HB LEU 41 2HB LEU 41 -7.794 -0.580 -2.133 328 2HB LEU 41 1HB LEU 41 -8.374 0.938 -1.454 329 HG LEU 41 HG LEU 41 -6.449 -0.721 0.130 330 1HD1 LEU 41 1HD1 LEU 41 -5.469 -0.556 -2.144 331 2HD1 LEU 41 3HD1 LEU 41 -5.678 1.197 -2.096 332 3HD1 LEU 41 2HD1 LEU 41 -4.559 0.407 -0.979 333 1HD2 LEU 41 1HD2 LEU 41 -7.723 1.665 0.569 334 2HD2 LEU 41 3HD2 LEU 41 -6.232 1.159 1.363 335 3HD2 LEU 41 2HD2 LEU 41 -6.164 2.196 -0.062 336 H THR 42 H THR 42 -10.110 -1.595 -2.407 337 HA THR 42 HA THR 42 -12.358 0.253 -2.310 338 HB THR 42 HB THR 42 -13.061 -0.736 -4.353 339 HG1 THR 42 HG1 THR 42 -13.086 -2.876 -3.781 340 1HG2 THR 42 1HG2 THR 42 -10.167 -0.397 -3.906 341 2HG2 THR 42 3HG2 THR 42 -10.578 -1.350 -5.332 342 3HG2 THR 42 2HG2 THR 42 -11.202 0.290 -5.157 343 H GLY 43 H GLY 43 -11.867 -3.132 -1.364 344 1HA GLY 43 2HA GLY 43 -14.569 -3.006 -0.114 345 2HA GLY 43 1HA GLY 43 -14.169 -4.388 -1.135 346 H TRP 44 H TRP 44 -12.513 -2.613 1.559 347 HA TRP 44 HA TRP 44 -12.620 -4.884 3.316 348 1HB TRP 44 2HB TRP 44 -11.040 -5.869 1.702 349 2HB TRP 44 1HB TRP 44 -9.989 -4.461 1.873 350 HD1 TRP 44 HD1 TRP 44 -9.215 -3.965 4.543 351 HE1 TRP 44 HE1 TRP 44 -8.432 -5.697 6.287 352 HE3 TRP 44 HE3 TRP 44 -11.118 -8.230 2.473 353 HZ2 TRP 44 HZ2 TRP 44 -8.594 -8.522 6.742 354 HZ3 TRP 44 HZ3 TRP 44 -10.789 -10.422 3.579 355 HH2 TRP 44 HH2 TRP 44 -9.529 -10.573 5.710 356 H VAL 45 H VAL 45 -10.593 -2.180 2.299 357 HA VAL 45 HA VAL 45 -9.688 -1.509 4.949 358 HB VAL 45 HB VAL 45 -9.650 -0.259 2.236 359 1HG1 VAL 45 1HG1 VAL 45 -10.236 1.589 3.741 360 2HG1 VAL 45 3HG1 VAL 45 -8.850 1.193 4.759 361 3HG1 VAL 45 2HG1 VAL 45 -8.597 1.762 3.110 362 1HG2 VAL 45 3HG2 VAL 45 -7.657 -1.185 4.294 363 2HG2 VAL 45 2HG2 VAL 45 -7.839 -1.713 2.620 364 3HG2 VAL 45 1HG2 VAL 45 -7.163 -0.124 2.975 365 H GLU 46 H GLU 46 -10.215 0.700 5.908 366 HA GLU 46 HA GLU 46 -13.091 1.396 5.501 367 1HB GLU 46 2HB GLU 46 -11.577 0.805 8.019 368 2HB GLU 46 1HB GLU 46 -12.828 2.048 8.072 369 1HG GLU 46 2HG GLU 46 -14.489 0.521 7.955 370 2HG GLU 46 1HG GLU 46 -13.700 -0.343 6.635 371 H TYR 47 H TYR 47 -12.881 3.299 4.423 372 HA TYR 47 HA TYR 47 -10.752 5.195 5.025 373 1HB TYR 47 2HB TYR 47 -13.218 5.500 3.287 374 2HB TYR 47 1HB TYR 47 -11.774 6.515 3.233 375 HD1 TYR 47 HD2 TYR 47 -9.518 4.784 3.333 376 HD2 TYR 47 HD1 TYR 47 -13.312 4.090 1.437 377 HE1 TYR 47 HE2 TYR 47 -8.441 3.177 1.767 378 HE2 TYR 47 HE1 TYR 47 -12.231 2.498 -0.129 379 HH TYR 47 HH TYR 47 -10.180 1.863 -0.965 380 HA PRO 48 HA PRO 48 -11.018 7.675 4.342 381 1HB PRO 48 2HB PRO 48 -9.861 9.540 5.998 382 2HB PRO 48 1HB PRO 48 -11.342 9.820 5.061 383 1HG PRO 48 2HG PRO 48 -11.039 9.254 7.985 384 2HG PRO 48 1HG PRO 48 -12.272 10.214 7.149 385 1HD PRO 48 2HD PRO 48 -12.660 7.613 8.091 386 2HD PRO 48 1HD PRO 48 -13.643 8.390 6.830 387 H LEU 49 H LEU 49 -8.911 7.105 3.968 388 HA LEU 49 HA LEU 49 -7.464 5.761 6.212 389 1HB LEU 49 2HB LEU 49 -7.931 4.087 4.630 390 2HB LEU 49 1HB LEU 49 -7.705 5.183 3.267 391 HG LEU 49 HG LEU 49 -5.244 5.293 3.906 392 1HD1 LEU 49 2HD1 LEU 49 -5.884 4.271 6.252 393 2HD1 LEU 49 1HD1 LEU 49 -5.741 2.734 5.401 394 3HD1 LEU 49 3HD1 LEU 49 -4.358 3.823 5.493 395 1HD2 LEU 49 2HD2 LEU 49 -6.760 3.261 2.564 396 2HD2 LEU 49 1HD2 LEU 49 -5.139 3.853 2.194 397 3HD2 LEU 49 3HD2 LEU 49 -5.355 2.524 3.332 398 H VAL 50 H VAL 50 -5.088 5.960 6.135 399 HA VAL 50 HA VAL 50 -4.170 8.406 4.673 400 HB VAL 50 HB VAL 50 -3.927 7.654 7.556 401 1HG1 VAL 50 3HG1 VAL 50 -1.661 8.597 5.881 402 2HG1 VAL 50 2HG1 VAL 50 -1.923 9.477 7.388 403 3HG1 VAL 50 1HG1 VAL 50 -1.640 7.737 7.421 404 1HG2 VAL 50 3HG2 VAL 50 -5.306 9.554 6.393 405 2HG2 VAL 50 2HG2 VAL 50 -4.444 9.910 7.890 406 3HG2 VAL 50 1HG2 VAL 50 -3.757 10.394 6.339 407 H LEU 51 H LEU 51 -3.079 7.297 3.009 408 HA LEU 51 HA LEU 51 -1.315 5.034 3.660 409 1HB LEU 51 2HB LEU 51 -2.613 5.196 1.501 410 2HB LEU 51 1HB LEU 51 -1.574 6.552 1.053 411 HG LEU 51 HG LEU 51 0.394 4.913 1.512 412 1HD1 LEU 51 3HD1 LEU 51 -1.996 3.128 1.481 413 2HD1 LEU 51 2HD1 LEU 51 -0.474 2.545 0.794 414 3HD1 LEU 51 1HD1 LEU 51 -0.552 3.037 2.494 415 1HD2 LEU 51 3HD2 LEU 51 -1.500 4.608 -0.817 416 2HD2 LEU 51 2HD2 LEU 51 -0.098 5.677 -0.720 417 3HD2 LEU 51 1HD2 LEU 51 0.123 3.927 -0.782 418 H GLU 52 H GLU 52 -0.208 6.821 5.208 419 HA GLU 52 HA GLU 52 1.532 8.760 4.015 420 1HB GLU 52 2HB GLU 52 1.106 8.890 6.386 421 2HB GLU 52 1HB GLU 52 1.684 7.242 6.636 422 1HG GLU 52 2HG GLU 52 3.880 7.864 6.578 423 2HG GLU 52 1HG GLU 52 3.606 9.075 5.324 424 H TRP 53 H TRP 53 2.482 7.622 2.183 425 HA TRP 53 HA TRP 53 4.043 5.215 2.648 426 1HB TRP 53 2HB TRP 53 2.871 6.017 0.451 427 2HB TRP 53 1HB TRP 53 4.365 6.931 0.204 428 HD1 TRP 53 HD1 TRP 53 6.648 5.197 0.863 429 HE1 TRP 53 HE1 TRP 53 7.064 2.867 -0.157 430 HE3 TRP 53 HE3 TRP 53 1.941 4.090 -0.732 431 HZ2 TRP 53 HZ2 TRP 53 5.579 0.808 -1.469 432 HZ3 TRP 53 HZ3 TRP 53 1.453 1.947 -1.857 433 HH2 TRP 53 HH2 TRP 53 3.274 0.293 -2.230 434 H ARG 54 H ARG 54 5.616 5.866 4.249 435 HA ARG 54 HA ARG 54 7.279 8.158 4.085 436 1HB ARG 54 2HB ARG 54 8.263 5.462 5.044 437 2HB ARG 54 1HB ARG 54 8.731 7.060 5.625 438 1HG ARG 54 2HG ARG 54 5.871 6.730 5.862 439 2HG ARG 54 1HG ARG 54 6.700 5.396 6.665 440 1HD ARG 54 2HD ARG 54 6.995 8.357 7.182 441 2HD ARG 54 1HD ARG 54 6.534 7.092 8.321 442 HE ARG 54 HE ARG 54 9.104 6.404 7.447 443 1HH1 ARG 54 1HH2 ARG 54 9.668 9.296 7.294 444 2HH1 ARG 54 2HH2 ARG 54 10.128 9.689 8.916 445 1HH2 ARG 54 2HH1 ARG 54 8.777 6.802 10.282 446 2HH2 ARG 54 1HH1 ARG 54 9.623 8.278 10.609 447 H GLN 55 H GLN 55 8.939 8.663 2.670 448 HA GLN 55 HA GLN 55 10.272 8.410 0.735 449 1HB GLN 55 2HB GLN 55 10.923 6.283 2.627 450 2HB GLN 55 1HB GLN 55 11.211 5.778 0.961 451 1HG GLN 55 2HG GLN 55 13.237 6.812 1.509 452 2HG GLN 55 1HG GLN 55 12.354 8.124 0.726 453 1HE2 GLN 55 2HE2 GLN 55 12.798 10.121 3.586 454 2HE2 GLN 55 1HE2 GLN 55 12.854 9.994 1.894 455 H PHE 56 H PHE 56 10.728 6.042 -0.825 456 HA PHE 56 HA PHE 56 8.448 4.472 -1.355 457 1HB PHE 56 2HB PHE 56 7.211 6.515 -1.789 458 2HB PHE 56 1HB PHE 56 8.472 7.097 -2.877 459 HD1 PHE 56 HD1 PHE 56 8.803 6.063 -5.090 460 HD2 PHE 56 HD2 PHE 56 5.655 4.785 -2.464 461 HE1 PHE 56 HE1 PHE 56 7.713 4.885 -6.971 462 HE2 PHE 56 HE2 PHE 56 4.562 3.607 -4.343 463 HZ PHE 56 HZ PHE 56 5.591 3.656 -6.603 464 H GLU 57 H GLU 57 10.248 6.542 -3.644 465 HA GLU 57 HA GLU 57 10.824 4.567 -5.535 466 1HB GLU 57 2HB GLU 57 12.211 7.105 -4.731 467 2HB GLU 57 1HB GLU 57 12.961 6.047 -5.928 468 1HG GLU 57 2HG GLU 57 11.609 6.930 -7.493 469 2HG GLU 57 1HG GLU 57 10.229 6.238 -6.639 470 H GLN 58 H GLN 58 12.601 5.320 -2.556 471 HA GLN 58 HA GLN 58 14.926 3.805 -3.028 472 1HB GLN 58 2HB GLN 58 14.795 3.415 -0.444 473 2HB GLN 58 1HB GLN 58 15.000 5.053 -1.060 474 1HG GLN 58 2HG GLN 58 13.073 5.689 -0.097 475 2HG GLN 58 1HG GLN 58 12.193 4.435 -0.970 476 1HE2 GLN 58 2HE2 GLN 58 13.122 2.080 1.855 477 2HE2 GLN 58 1HE2 GLN 58 13.604 2.161 0.231 478 H SER 59 H SER 59 12.063 2.615 -1.198 479 HA SER 59 HA SER 59 12.996 -0.134 -1.485 480 1HB SER 59 2HB SER 59 11.486 1.039 0.389 481 2HB SER 59 1HB SER 59 10.190 0.461 -0.660 482 HG SER 59 HG SER 59 12.289 -1.285 -0.064 483 H LYS 60 H LYS 60 11.423 1.959 -3.550 484 HA LYS 60 HA LYS 60 9.590 0.007 -4.752 485 1HB LYS 60 2HB LYS 60 9.013 2.379 -4.740 486 2HB LYS 60 1HB LYS 60 10.477 2.750 -5.657 487 1HG LYS 60 2HG LYS 60 8.952 0.660 -6.966 488 2HG LYS 60 1HG LYS 60 7.956 2.094 -6.716 489 1HD LYS 60 2HD LYS 60 9.323 3.441 -8.027 490 2HD LYS 60 1HD LYS 60 10.747 2.435 -7.757 491 1HE LYS 60 2HE LYS 60 10.275 1.103 -9.528 492 2HE LYS 60 1HE LYS 60 8.564 1.010 -9.108 493 1HZ LYS 60 3HZ LYS 60 9.250 3.621 -9.977 494 2HZ LYS 60 2HZ LYS 60 9.698 2.475 -11.148 495 3HZ LYS 60 1HZ LYS 60 8.090 2.554 -10.605 496 H GLN 61 H GLN 61 12.900 1.020 -5.231 497 HA GLN 61 HA GLN 61 13.045 0.069 -7.985 498 1HB GLN 61 2HB GLN 61 14.610 1.715 -6.390 499 2HB GLN 61 1HB GLN 61 15.594 0.265 -6.591 500 1HG GLN 61 2HG GLN 61 16.049 1.840 -8.414 501 2HG GLN 61 1HG GLN 61 15.255 0.398 -9.047 502 1HE2 GLN 61 2HE2 GLN 61 13.395 3.182 -10.567 503 2HE2 GLN 61 1HE2 GLN 61 14.913 2.439 -10.731 504 H LEU 62 H LEU 62 14.790 -0.973 -5.126 505 HA LEU 62 HA LEU 62 15.869 -3.336 -5.941 506 1HB LEU 62 2HB LEU 62 14.844 -4.115 -3.471 507 2HB LEU 62 1HB LEU 62 16.398 -3.329 -3.754 508 HG LEU 62 HG LEU 62 15.381 -1.132 -3.448 509 1HD1 LEU 62 2HD1 LEU 62 12.952 -2.670 -3.851 510 2HD1 LEU 62 1HD1 LEU 62 12.845 -1.698 -2.392 511 3HD1 LEU 62 3HD1 LEU 62 13.182 -0.923 -3.941 512 1HD2 LEU 62 3HD2 LEU 62 14.593 -3.092 -1.274 513 2HD2 LEU 62 2HD2 LEU 62 16.153 -2.282 -1.429 514 3HD2 LEU 62 1HD2 LEU 62 14.703 -1.344 -1.070 515 H THR 63 H THR 63 12.470 -2.770 -5.576 516 HA THR 63 HA THR 63 11.838 -5.640 -5.794 517 HB THR 63 HB THR 63 10.495 -4.098 -4.343 518 HG1 THR 63 HG1 THR 63 9.702 -6.050 -5.593 519 1HG2 THR 63 3HG2 THR 63 10.241 -2.711 -6.930 520 2HG2 THR 63 2HG2 THR 63 8.739 -2.863 -6.020 521 3HG2 THR 63 1HG2 THR 63 10.134 -2.069 -5.291 522 H GLU 64 H GLU 64 9.382 -4.515 -7.493 523 HA GLU 64 HA GLU 64 10.605 -3.903 -10.046 524 1HB GLU 64 2HB GLU 64 9.471 -6.071 -11.029 525 2HB GLU 64 1HB GLU 64 11.088 -6.177 -10.332 526 1HG GLU 64 2HG GLU 64 10.007 -6.795 -8.134 527 2HG GLU 64 1HG GLU 64 8.469 -6.899 -8.992 528 H ASN 65 H ASN 65 8.883 -2.343 -8.890 529 HA ASN 65 HA ASN 65 6.892 -1.217 -9.471 530 1HB ASN 65 2HB ASN 65 5.903 -1.821 -11.411 531 2HB ASN 65 1HB ASN 65 7.121 -3.089 -11.497 532 1HD2 ASN 65 2HD2 ASN 65 3.430 -4.337 -11.506 533 2HD2 ASN 65 1HD2 ASN 65 4.046 -2.911 -12.189 534 H GLY 66 H GLY 66 7.469 -3.366 -7.302 535 1HA GLY 66 2HA GLY 66 4.853 -4.428 -6.617 536 2HA GLY 66 1HA GLY 66 6.276 -4.426 -5.569 537 H ALA 67 H ALA 67 6.799 -1.644 -5.541 538 HA ALA 67 HA ALA 67 4.768 -0.789 -3.624 539 1HB ALA 67 3HB ALA 67 7.455 0.072 -4.456 540 2HB ALA 67 2HB ALA 67 6.372 1.409 -4.072 541 3HB ALA 67 1HB ALA 67 6.689 0.157 -2.871 542 H GLU 68 H GLU 68 5.939 0.436 -6.773 543 HA GLU 68 HA GLU 68 4.148 2.577 -7.040 544 1HB GLU 68 2HB GLU 68 4.644 2.540 -9.378 545 2HB GLU 68 1HB GLU 68 6.102 1.971 -8.564 546 1HG GLU 68 2HG GLU 68 5.310 -0.386 -8.932 547 2HG GLU 68 1HG GLU 68 3.982 0.261 -9.895 548 H SER 69 H SER 69 3.493 -0.801 -7.087 549 HA SER 69 HA SER 69 1.010 -0.495 -8.634 550 1HB SER 69 2HB SER 69 2.359 -2.817 -7.255 551 2HB SER 69 1HB SER 69 0.708 -2.950 -7.855 552 HG SER 69 HG SER 69 2.017 -3.572 -9.513 553 H VAL 70 H VAL 70 1.720 -1.579 -5.264 554 HA VAL 70 HA VAL 70 -0.929 -1.497 -4.357 555 HB VAL 70 HB VAL 70 1.577 -0.655 -2.861 556 1HG1 VAL 70 3HG1 VAL 70 -1.143 -0.320 -2.163 557 2HG1 VAL 70 2HG1 VAL 70 -0.568 -1.692 -1.222 558 3HG1 VAL 70 1HG1 VAL 70 0.257 -0.138 -1.106 559 1HG2 VAL 70 1HG2 VAL 70 0.974 -3.140 -3.837 560 2HG2 VAL 70 3HG2 VAL 70 1.922 -2.868 -2.375 561 3HG2 VAL 70 2HG2 VAL 70 0.196 -3.210 -2.257 562 H LEU 71 H LEU 71 1.333 0.974 -5.186 563 HA LEU 71 HA LEU 71 -0.207 3.055 -3.910 564 1HB LEU 71 2HB LEU 71 2.314 3.120 -4.322 565 2HB LEU 71 1HB LEU 71 1.918 3.476 -6.004 566 HG LEU 71 HG LEU 71 0.805 5.493 -5.422 567 1HD1 LEU 71 3HD1 LEU 71 0.715 4.231 -2.725 568 2HD1 LEU 71 2HD1 LEU 71 0.810 5.995 -2.787 569 3HD1 LEU 71 1HD1 LEU 71 -0.530 5.153 -3.580 570 1HD2 LEU 71 2HD2 LEU 71 3.443 5.175 -5.019 571 2HD2 LEU 71 1HD2 LEU 71 2.631 6.721 -4.764 572 3HD2 LEU 71 3HD2 LEU 71 2.972 5.667 -3.391 573 H GLN 72 H GLN 72 0.233 1.879 -7.255 574 HA GLN 72 HA GLN 72 -1.326 3.899 -8.499 575 1HB GLN 72 2HB GLN 72 -0.579 1.102 -9.140 576 2HB GLN 72 1HB GLN 72 -2.021 1.711 -9.955 577 1HG GLN 72 2HG GLN 72 -0.627 3.774 -10.557 578 2HG GLN 72 1HG GLN 72 0.780 2.841 -10.044 579 1HE2 GLN 72 2HE2 GLN 72 0.289 0.389 -12.728 580 2HE2 GLN 72 1HE2 GLN 72 0.594 0.401 -11.059 581 H VAL 73 H VAL 73 -2.188 1.129 -6.614 582 HA VAL 73 HA VAL 73 -5.054 1.332 -7.167 583 HB VAL 73 HB VAL 73 -3.512 -0.285 -5.121 584 1HG1 VAL 73 1HG1 VAL 73 -5.948 0.205 -4.604 585 2HG1 VAL 73 3HG1 VAL 73 -6.344 -0.658 -6.088 586 3HG1 VAL 73 2HG1 VAL 73 -5.538 -1.502 -4.768 587 1HG2 VAL 73 2HG2 VAL 73 -3.699 -0.486 -7.912 588 2HG2 VAL 73 1HG2 VAL 73 -3.142 -1.746 -6.805 589 3HG2 VAL 73 3HG2 VAL 73 -4.840 -1.688 -7.299 590 H PHE 74 H PHE 74 -2.980 1.994 -4.320 591 HA PHE 74 HA PHE 74 -4.936 2.855 -2.548 592 1HB PHE 74 2HB PHE 74 -2.048 3.360 -2.971 593 2HB PHE 74 1HB PHE 74 -2.899 4.588 -2.051 594 HD1 PHE 74 HD1 PHE 74 -4.665 3.554 -0.276 595 HD2 PHE 74 HD2 PHE 74 -1.145 1.595 -1.765 596 HE1 PHE 74 HE1 PHE 74 -4.670 2.026 1.664 597 HE2 PHE 74 HE2 PHE 74 -1.164 0.079 0.197 598 HZ PHE 74 HZ PHE 74 -2.942 0.313 1.899 599 H ARG 75 H ARG 75 -3.039 4.743 -4.855 600 HA ARG 75 HA ARG 75 -4.467 7.187 -4.621 601 1HB ARG 75 2HB ARG 75 -2.731 5.939 -6.725 602 2HB ARG 75 1HB ARG 75 -3.652 7.388 -7.132 603 1HG ARG 75 2HG ARG 75 -2.657 8.580 -5.231 604 2HG ARG 75 1HG ARG 75 -1.763 7.129 -4.774 605 1HD ARG 75 2HD ARG 75 -0.514 8.908 -6.178 606 2HD ARG 75 1HD ARG 75 -0.390 7.226 -6.693 607 HE ARG 75 HE ARG 75 -2.301 9.152 -7.955 608 1HH1 ARG 75 2HH1 ARG 75 0.607 7.547 -8.389 609 2HH1 ARG 75 1HH1 ARG 75 0.203 6.857 -9.926 610 1HH2 ARG 75 1HH2 ARG 75 -3.121 7.838 -9.788 611 2HH2 ARG 75 2HH2 ARG 75 -1.908 7.022 -10.718 612 H GLU 76 H GLU 76 -4.969 4.347 -6.780 613 HA GLU 76 HA GLU 76 -7.076 5.427 -8.340 614 1HB GLU 76 2HB GLU 76 -6.296 2.693 -7.456 615 2HB GLU 76 1HB GLU 76 -7.933 2.895 -8.078 616 1HG GLU 76 2HG GLU 76 -5.366 3.642 -9.496 617 2HG GLU 76 1HG GLU 76 -6.450 2.316 -9.914 618 H ALA 77 H ALA 77 -7.041 4.325 -5.034 619 HA ALA 77 HA ALA 77 -9.957 4.292 -4.758 620 1HB ALA 77 2HB ALA 77 -7.706 4.172 -2.716 621 2HB ALA 77 1HB ALA 77 -9.408 3.924 -2.342 622 3HB ALA 77 3HB ALA 77 -8.564 2.793 -3.395 623 H LYS 78 H LYS 78 -7.313 6.420 -3.581 624 HA LYS 78 HA LYS 78 -9.086 8.361 -2.451 625 1HB LYS 78 2HB LYS 78 -7.143 9.630 -2.114 626 2HB LYS 78 1HB LYS 78 -6.528 7.984 -2.110 627 1HG LYS 78 2HG LYS 78 -5.053 8.803 -3.646 628 2HG LYS 78 1HG LYS 78 -6.393 8.560 -4.767 629 1HD LYS 78 2HD LYS 78 -5.482 10.831 -5.005 630 2HD LYS 78 1HD LYS 78 -7.130 10.891 -4.379 631 1HE LYS 78 2HE LYS 78 -6.451 11.874 -2.467 632 2HE LYS 78 1HE LYS 78 -5.199 10.658 -2.220 633 1HZ LYS 78 2HZ LYS 78 -4.274 12.143 -4.306 634 2HZ LYS 78 1HZ LYS 78 -4.979 13.304 -3.285 635 3HZ LYS 78 3HZ LYS 78 -3.768 12.275 -2.689 636 H ALA 79 H ALA 79 -8.450 7.474 -5.643 637 HA ALA 79 HA ALA 79 -8.962 10.150 -6.799 638 1HB ALA 79 1HB ALA 79 -7.474 7.972 -7.649 639 2HB ALA 79 3HB ALA 79 -8.953 7.830 -8.603 640 3HB ALA 79 2HB ALA 79 -7.988 9.310 -8.677 641 H GLU 80 H GLU 80 -10.187 6.927 -7.571 642 HA GLU 80 HA GLU 80 -12.560 7.618 -8.785 643 1HB GLU 80 2HB GLU 80 -12.256 5.290 -6.876 644 2HB GLU 80 1HB GLU 80 -13.338 5.411 -8.262 645 1HG GLU 80 2HG GLU 80 -10.625 5.947 -9.085 646 2HG GLU 80 1HG GLU 80 -10.718 4.391 -8.261 647 H GLY 81 H GLY 81 -12.349 6.765 -5.273 648 1HA GLY 81 2HA GLY 81 -14.172 8.976 -4.653 649 2HA GLY 81 1HA GLY 81 -14.948 7.396 -4.541 650 H ALA 82 H ALA 82 -12.559 6.023 -3.576 651 HA ALA 82 HA ALA 82 -12.879 5.989 -0.868 652 1HB ALA 82 1HB ALA 82 -10.899 5.083 -2.651 653 2HB ALA 82 3HB ALA 82 -10.036 5.944 -1.375 654 3HB ALA 82 2HB ALA 82 -11.114 4.609 -0.967 655 H ASP 83 H ASP 83 -11.794 6.977 0.940 656 HA ASP 83 HA ASP 83 -10.930 9.786 0.395 657 1HB ASP 83 2HB ASP 83 -12.622 8.535 2.468 658 2HB ASP 83 1HB ASP 83 -11.421 9.663 3.098 659 H ILE 84 H ILE 84 -8.995 8.037 -0.074 660 HA ILE 84 HA ILE 84 -7.472 7.515 2.403 661 HB ILE 84 HB ILE 84 -6.970 6.829 -0.506 662 1HG1 ILE 84 2HG1 ILE 84 -7.266 4.704 1.488 663 2HG1 ILE 84 1HG1 ILE 84 -8.707 5.706 1.311 664 1HG2 ILE 84 3HG2 ILE 84 -4.865 7.157 0.846 665 2HG2 ILE 84 2HG2 ILE 84 -5.444 5.903 1.944 666 3HG2 ILE 84 1HG2 ILE 84 -5.085 5.507 0.261 667 1HD1 ILE 84 3HD1 ILE 84 -7.926 5.351 -1.302 668 2HD1 ILE 84 2HD1 ILE 84 -7.514 3.796 -0.579 669 3HD1 ILE 84 1HD1 ILE 84 -9.168 4.404 -0.486 670 H THR 85 H THR 85 -5.249 8.243 2.593 671 HA THR 85 HA THR 85 -4.749 10.812 1.151 672 HB THR 85 HB THR 85 -3.234 10.295 3.631 673 HG1 THR 85 HG1 THR 85 -5.391 11.115 4.650 674 1HG2 THR 85 1HG2 THR 85 -4.892 12.578 2.531 675 2HG2 THR 85 3HG2 THR 85 -4.012 12.652 4.058 676 3HG2 THR 85 2HG2 THR 85 -3.133 12.449 2.542 677 H ILE 86 H ILE 86 -3.595 9.839 -0.571 678 HA ILE 86 HA ILE 86 -1.451 7.954 -0.027 679 HB ILE 86 HB ILE 86 -2.751 9.116 -2.406 680 1HG1 ILE 86 2HG1 ILE 86 -2.700 6.859 -3.142 681 2HG1 ILE 86 1HG1 ILE 86 -1.339 6.462 -2.095 682 1HG2 ILE 86 2HG2 ILE 86 0.178 8.316 -2.471 683 2HG2 ILE 86 1HG2 ILE 86 -0.834 8.525 -3.898 684 3HG2 ILE 86 3HG2 ILE 86 -0.481 9.906 -2.860 685 1HD1 ILE 86 2HD1 ILE 86 -3.550 7.461 -0.513 686 2HD1 ILE 86 1HD1 ILE 86 -4.079 6.118 -1.523 687 3HD1 ILE 86 3HD1 ILE 86 -2.730 5.901 -0.407 688 H ILE 87 H ILE 87 0.332 8.642 0.965 689 HA ILE 87 HA ILE 87 1.387 11.353 0.262 690 HB ILE 87 HB ILE 87 2.329 9.710 2.603 691 1HG1 ILE 87 2HG1 ILE 87 -0.092 9.740 2.828 692 2HG1 ILE 87 1HG1 ILE 87 0.589 10.911 3.959 693 1HG2 ILE 87 1HG2 ILE 87 3.512 11.806 1.882 694 2HG2 ILE 87 3HG2 ILE 87 2.022 12.698 2.192 695 3HG2 ILE 87 2HG2 ILE 87 2.861 11.894 3.519 696 1HD1 ILE 87 3HD1 ILE 87 0.167 12.719 2.318 697 2HD1 ILE 87 2HD1 ILE 87 -0.558 11.542 1.224 698 3HD1 ILE 87 1HD1 ILE 87 -1.323 11.895 2.773 699 H LEU 88 H LEU 88 3.385 11.511 -0.697 700 HA LEU 88 HA LEU 88 5.033 9.024 -0.866 701 1HB LEU 88 2HB LEU 88 4.118 10.852 -3.077 702 2HB LEU 88 1HB LEU 88 5.623 9.945 -3.236 703 HG LEU 88 HG LEU 88 3.203 8.457 -2.320 704 1HD1 LEU 88 3HD1 LEU 88 2.921 10.061 -4.518 705 2HD1 LEU 88 2HD1 LEU 88 3.556 8.588 -5.252 706 3HD1 LEU 88 1HD1 LEU 88 2.074 8.530 -4.297 707 1HD2 LEU 88 3HD2 LEU 88 5.812 7.822 -3.014 708 2HD2 LEU 88 2HD2 LEU 88 4.477 6.675 -2.907 709 3HD2 LEU 88 1HD2 LEU 88 4.902 7.391 -4.461 710 H SER 89 HN SER 89 5.936 10.450 1.030 711 HA SER 89 HA SER 89 8.377 11.685 0.060 712 1HB SER 89 2HB SER 89 6.331 13.434 0.003 713 2HB SER 89 1HB SER 89 6.790 13.603 1.699 714 HG SER 89 HG SER 89 9.004 13.822 0.825 No H/Q in entry = 714 Start of MODEL 4 1 1H LYS 1 1H LYS 1 -8.224 4.326 7.795 2 2H LYS 1 3H LYS 1 -8.491 2.654 7.896 3 3H LYS 1 2H LYS 1 -9.211 3.696 9.027 4 HA LYS 1 HA LYS 1 -7.398 3.806 10.301 5 1HB LYS 1 2HB LYS 1 -6.733 1.459 8.502 6 2HB LYS 1 1HB LYS 1 -5.879 1.815 10.004 7 1HG LYS 1 2HG LYS 1 -8.807 1.124 9.672 8 2HG LYS 1 1HG LYS 1 -7.579 0.207 10.547 9 1HD LYS 1 2HD LYS 1 -8.721 2.914 11.283 10 2HD LYS 1 1HD LYS 1 -8.864 1.409 12.191 11 1HE LYS 1 2HE LYS 1 -6.339 3.010 11.701 12 2HE LYS 1 1HE LYS 1 -7.145 2.742 13.246 13 1HZ LYS 1 1HZ LYS 1 -6.787 0.267 12.670 14 2HZ LYS 1 3HZ LYS 1 -5.599 0.847 11.607 15 3HZ LYS 1 2HZ LYS 1 -5.482 1.173 13.270 16 H LYS 2 H LYS 2 -4.890 3.907 10.348 17 HA LYS 2 HA LYS 2 -4.036 5.554 8.013 18 1HB LYS 2 2HB LYS 2 -3.840 6.857 9.973 19 2HB LYS 2 1HB LYS 2 -3.233 5.500 10.919 20 1HG LYS 2 2HG LYS 2 -1.091 5.871 10.279 21 2HG LYS 2 1HG LYS 2 -1.552 6.126 8.596 22 1HD LYS 2 2HD LYS 2 -2.393 8.411 9.255 23 2HD LYS 2 1HD LYS 2 -1.695 8.143 10.852 24 1HE LYS 2 2HE LYS 2 0.248 7.495 8.819 25 2HE LYS 2 1HE LYS 2 -0.372 9.124 8.555 26 1HZ LYS 2 1HZ LYS 2 0.653 8.095 11.145 27 2HZ LYS 2 3HZ LYS 2 1.532 9.075 10.075 28 3HZ LYS 2 2HZ LYS 2 0.134 9.681 10.826 29 H ALA 3 H ALA 3 -2.874 4.351 6.578 30 HA ALA 3 HA ALA 3 -1.189 2.132 7.594 31 1HB ALA 3 3HB ALA 3 -2.652 2.645 5.158 32 2HB ALA 3 2HB ALA 3 -0.951 2.363 4.780 33 3HB ALA 3 1HB ALA 3 -1.867 1.153 5.681 34 H VAL 4 H VAL 4 1.038 2.250 7.550 35 HA VAL 4 HA VAL 4 2.214 4.723 6.356 36 HB VAL 4 HB VAL 4 2.866 3.364 8.985 37 1HG1 VAL 4 1HG1 VAL 4 4.681 4.604 7.221 38 2HG1 VAL 4 3HG1 VAL 4 4.337 5.804 8.467 39 3HG1 VAL 4 2HG1 VAL 4 4.949 4.212 8.919 40 1HG2 VAL 4 3HG2 VAL 4 1.134 5.471 8.278 41 2HG2 VAL 4 2HG2 VAL 4 1.653 5.027 9.904 42 3HG2 VAL 4 1HG2 VAL 4 2.547 6.244 8.994 43 H ILE 5 H ILE 5 3.749 4.301 4.882 44 HA ILE 5 HA ILE 5 4.778 1.538 4.630 45 HB ILE 5 HB ILE 5 5.339 3.858 2.771 46 1HG1 ILE 5 2HG1 ILE 5 2.819 3.405 3.367 47 2HG1 ILE 5 1HG1 ILE 5 3.283 3.570 1.687 48 1HG2 ILE 5 2HG2 ILE 5 5.806 0.969 2.799 49 2HG2 ILE 5 1HG2 ILE 5 4.985 1.508 1.334 50 3HG2 ILE 5 3HG2 ILE 5 6.534 2.218 1.787 51 1HD1 ILE 5 2HD1 ILE 5 3.549 0.823 2.637 52 2HD1 ILE 5 1HD1 ILE 5 1.901 1.433 2.780 53 3HD1 ILE 5 3HD1 ILE 5 2.711 1.443 1.213 54 H ASN 6 H ASN 6 6.483 1.223 5.966 55 HA ASN 6 HA ASN 6 8.511 3.385 6.191 56 1HB ASN 6 2HB ASN 6 8.655 0.910 7.853 57 2HB ASN 6 1HB ASN 6 9.031 2.580 8.297 58 1HD2 ASN 6 2HD2 ASN 6 5.762 1.510 9.883 59 2HD2 ASN 6 1HD2 ASN 6 7.320 0.835 9.891 60 H GLY 7 H GLY 7 9.606 3.004 4.246 61 1HA GLY 7 2HA GLY 7 10.403 0.393 3.367 62 2HA GLY 7 1HA GLY 7 11.057 1.921 2.763 63 H GLU 8 H GLU 8 11.491 2.395 5.876 64 HA GLU 8 HA GLU 8 14.287 1.688 5.807 65 1HB GLU 8 2HB GLU 8 13.016 3.608 7.120 66 2HB GLU 8 1HB GLU 8 12.904 2.371 8.372 67 1HG GLU 8 2HG GLU 8 14.939 3.384 8.902 68 2HG GLU 8 1HG GLU 8 15.467 2.045 7.883 69 H GLN 9 H GLN 9 11.444 0.061 6.698 70 HA GLN 9 HA GLN 9 13.034 -2.020 8.128 71 1HB GLN 9 2HB GLN 9 11.089 -0.735 9.338 72 2HB GLN 9 1HB GLN 9 10.050 -1.790 8.380 73 1HG GLN 9 2HG GLN 9 11.205 -3.768 9.287 74 2HG GLN 9 1HG GLN 9 12.260 -2.721 10.237 75 1HE2 GLN 9 2HE2 GLN 9 9.146 -1.570 12.072 76 2HE2 GLN 9 1HE2 GLN 9 10.181 -0.787 10.978 77 H ILE 10 H ILE 10 10.954 -1.278 5.500 78 HA ILE 10 HA ILE 10 10.122 -3.983 4.896 79 HB ILE 10 HB ILE 10 10.348 -1.542 3.109 80 1HG1 ILE 10 2HG1 ILE 10 8.769 -1.375 5.055 81 2HG1 ILE 10 1HG1 ILE 10 7.955 -1.310 3.492 82 1HG2 ILE 10 3HG2 ILE 10 9.640 -4.349 2.594 83 2HG2 ILE 10 2HG2 ILE 10 8.413 -3.200 2.056 84 3HG2 ILE 10 1HG2 ILE 10 10.067 -3.069 1.456 85 1HD1 ILE 10 2HD1 ILE 10 7.996 -4.009 3.985 86 2HD1 ILE 10 1HD1 ILE 10 7.800 -3.353 5.610 87 3HD1 ILE 10 3HD1 ILE 10 6.636 -2.949 4.348 88 H ARG 11 H ARG 11 11.873 -5.362 4.811 89 HA ARG 11 HA ARG 11 14.415 -4.766 3.645 90 1HB ARG 11 2HB ARG 11 13.518 -7.572 3.352 91 2HB ARG 11 1HB ARG 11 14.966 -6.930 4.130 92 1HG ARG 11 2HG ARG 11 13.432 -6.136 6.011 93 2HG ARG 11 1HG ARG 11 12.181 -7.142 5.271 94 1HD ARG 11 2HD ARG 11 13.447 -9.138 5.609 95 2HD ARG 11 1HD ARG 11 14.909 -8.231 5.995 96 HE ARG 11 HE ARG 11 14.145 -8.156 8.213 97 1HH1 ARG 11 2HH1 ARG 11 12.079 -6.533 8.655 98 2HH1 ARG 11 1HH1 ARG 11 10.628 -7.477 8.727 99 1HH2 ARG 11 1HH2 ARG 11 12.030 -10.235 7.164 100 2HH2 ARG 11 2HH2 ARG 11 10.601 -9.572 7.882 101 H SER 12 H SER 12 11.537 -6.359 2.311 102 HA SER 12 HA SER 12 12.408 -5.485 -0.391 103 1HB SER 12 2HB SER 12 12.527 -7.590 -1.319 104 2HB SER 12 1HB SER 12 13.048 -7.987 0.316 105 HG SER 12 HG SER 12 11.316 -9.316 -0.562 106 H ILE 13 H ILE 13 10.598 -5.834 -1.999 107 HA ILE 13 HA ILE 13 8.230 -4.590 -1.300 108 HB ILE 13 HB ILE 13 8.926 -5.166 -3.612 109 1HG1 ILE 13 2HG1 ILE 13 6.475 -4.652 -2.858 110 2HG1 ILE 13 1HG1 ILE 13 6.751 -5.285 -4.475 111 1HG2 ILE 13 3HG2 ILE 13 8.103 -7.937 -2.732 112 2HG2 ILE 13 2HG2 ILE 13 8.299 -7.478 -4.423 113 3HG2 ILE 13 1HG2 ILE 13 9.680 -7.420 -3.328 114 1HD1 ILE 13 2HD1 ILE 13 6.370 -7.615 -3.434 115 2HD1 ILE 13 1HD1 ILE 13 5.712 -6.741 -2.055 116 3HD1 ILE 13 3HD1 ILE 13 4.966 -6.578 -3.638 117 H SER 14 H SER 14 9.041 -8.006 -0.902 118 HA SER 14 HA SER 14 6.537 -9.101 -0.316 119 1HB SER 14 2HB SER 14 9.280 -9.646 0.799 120 2HB SER 14 1HB SER 14 7.879 -10.544 1.374 121 HG SER 14 HG SER 14 9.276 -11.057 -0.744 122 H ASP 15 H ASP 15 8.746 -7.523 2.036 123 HA ASP 15 HA ASP 15 6.865 -7.688 4.201 124 1HB ASP 15 2HB ASP 15 9.522 -6.575 3.711 125 2HB ASP 15 1HB ASP 15 8.559 -5.582 4.798 126 H LEU 16 H LEU 16 7.195 -5.560 1.545 127 HA LEU 16 HA LEU 16 6.021 -3.179 2.595 128 1HB LEU 16 2HB LEU 16 7.123 -3.303 0.377 129 2HB LEU 16 1HB LEU 16 5.829 -4.342 -0.206 130 HG LEU 16 HG LEU 16 4.559 -2.552 -0.717 131 1HD1 LEU 16 3HD1 LEU 16 5.071 -1.709 2.136 132 2HD1 LEU 16 2HD1 LEU 16 4.213 -0.656 1.015 133 3HD1 LEU 16 1HD1 LEU 16 3.562 -2.246 1.397 134 1HD2 LEU 16 3HD2 LEU 16 7.188 -1.654 -0.605 135 2HD2 LEU 16 2HD2 LEU 16 5.844 -0.850 -1.418 136 3HD2 LEU 16 1HD2 LEU 16 6.272 -0.404 0.235 137 H HIS 17 H HIS 17 4.530 -5.777 0.683 138 HA HIS 17 HA HIS 17 1.849 -4.913 1.129 139 1HB HIS 17 2HB HIS 17 2.929 -7.657 0.438 140 2HB HIS 17 1HB HIS 17 1.233 -7.171 0.303 141 HD1 HIS 17 HD1 HIS 17 0.634 -6.387 -1.989 142 HD2 HIS 17 HD2 HIS 17 4.628 -5.593 -1.115 143 HE1 HIS 17 HE1 HIS 17 1.626 -5.299 -4.053 144 H GLN 18 H GLN 18 4.085 -6.451 3.167 145 HA GLN 18 HA GLN 18 2.082 -7.728 4.887 146 1HB GLN 18 2HB GLN 18 5.036 -7.161 5.291 147 2HB GLN 18 1HB GLN 18 4.031 -8.047 6.440 148 1HG GLN 18 2HG GLN 18 3.478 -9.674 4.613 149 2HG GLN 18 1HG GLN 18 4.634 -8.836 3.577 150 1HE2 GLN 18 2HE2 GLN 18 6.787 -11.400 4.933 151 2HE2 GLN 18 1HE2 GLN 18 5.716 -11.098 3.651 152 H THR 19 H THR 19 3.848 -4.773 4.614 153 HA THR 19 HA THR 19 3.109 -3.684 7.192 154 HB THR 19 HB THR 19 4.365 -2.617 4.682 155 HG1 THR 19 HG1 THR 19 5.028 -3.097 7.337 156 1HG2 THR 19 1HG2 THR 19 2.772 -1.053 6.587 157 2HG2 THR 19 3HG2 THR 19 4.425 -0.464 6.409 158 3HG2 THR 19 2HG2 THR 19 3.382 -0.604 4.994 159 H LEU 20 H LEU 20 1.797 -3.622 3.962 160 HA LEU 20 HA LEU 20 -0.335 -1.729 4.678 161 1HB LEU 20 2HB LEU 20 -0.666 -3.485 2.301 162 2HB LEU 20 1HB LEU 20 -0.971 -1.755 2.467 163 HG LEU 20 HG LEU 20 1.752 -3.039 2.323 164 1HD1 LEU 20 2HD1 LEU 20 0.066 -2.719 0.238 165 2HD1 LEU 20 1HD1 LEU 20 0.836 -1.132 0.263 166 3HD1 LEU 20 3HD1 LEU 20 1.820 -2.586 0.093 167 1HD2 LEU 20 1HD2 LEU 20 1.222 -0.777 3.622 168 2HD2 LEU 20 3HD2 LEU 20 2.672 -0.938 2.629 169 3HD2 LEU 20 2HD2 LEU 20 1.248 -0.121 1.984 170 H LYS 21 H LYS 21 0.216 -5.149 4.503 171 HA LYS 21 HA LYS 21 -2.576 -5.913 4.839 172 1HB LYS 21 2HB LYS 21 -1.071 -7.509 3.815 173 2HB LYS 21 1HB LYS 21 0.029 -7.426 5.192 174 1HG LYS 21 2HG LYS 21 -1.285 -8.774 6.496 175 2HG LYS 21 1HG LYS 21 -2.785 -8.149 5.809 176 1HD LYS 21 2HD LYS 21 -2.673 -9.566 3.944 177 2HD LYS 21 1HD LYS 21 -0.939 -9.832 4.130 178 1HE LYS 21 2HE LYS 21 -3.116 -10.874 5.968 179 2HE LYS 21 1HE LYS 21 -2.156 -11.832 4.840 180 1HZ LYS 21 1HZ LYS 21 -0.317 -10.460 6.326 181 2HZ LYS 21 3HZ LYS 21 -1.492 -10.918 7.460 182 3HZ LYS 21 2HZ LYS 21 -0.731 -12.098 6.503 183 H LYS 22 H LYS 22 0.044 -4.946 6.890 184 HA LYS 22 HA LYS 22 -1.222 -6.010 9.329 185 1HB LYS 22 2HB LYS 22 1.086 -6.082 9.583 186 2HB LYS 22 1HB LYS 22 1.339 -4.608 8.652 187 1HG LYS 22 2HG LYS 22 0.420 -3.273 10.516 188 2HG LYS 22 1HG LYS 22 0.182 -4.749 11.454 189 1HD LYS 22 2HD LYS 22 2.731 -5.144 10.985 190 2HD LYS 22 1HD LYS 22 2.756 -3.410 10.662 191 1HE LYS 22 2HE LYS 22 3.215 -3.485 12.956 192 2HE LYS 22 1HE LYS 22 1.470 -3.233 12.937 193 1HZ LYS 22 2HZ LYS 22 1.759 -5.939 12.778 194 2HZ LYS 22 1HZ LYS 22 2.972 -5.478 13.874 195 3HZ LYS 22 3HZ LYS 22 1.357 -5.059 14.175 196 H GLU 23 H GLU 23 -0.729 -2.877 7.720 197 HA GLU 23 HA GLU 23 -1.971 -1.368 9.865 198 1HB GLU 23 2HB GLU 23 -1.318 -0.659 7.001 199 2HB GLU 23 1HB GLU 23 -1.978 0.490 8.166 200 1HG GLU 23 2HG GLU 23 0.484 -1.099 8.849 201 2HG GLU 23 1HG GLU 23 0.616 0.356 7.860 202 H LEU 24 H LEU 24 -3.004 -2.430 6.678 203 HA LEU 24 HA LEU 24 -5.724 -1.440 7.070 204 1HB LEU 24 2HB LEU 24 -4.839 -3.384 4.938 205 2HB LEU 24 1HB LEU 24 -6.130 -2.184 4.864 206 HG LEU 24 HG LEU 24 -3.268 -1.337 5.286 207 1HD1 LEU 24 2HD1 LEU 24 -4.375 -2.583 2.929 208 2HD1 LEU 24 1HD1 LEU 24 -3.929 -0.909 2.593 209 3HD1 LEU 24 3HD1 LEU 24 -2.727 -2.032 3.231 210 1HD2 LEU 24 3HD2 LEU 24 -5.857 -0.081 4.427 211 2HD2 LEU 24 2HD2 LEU 24 -4.714 0.452 5.660 212 3HD2 LEU 24 1HD2 LEU 24 -4.323 0.649 3.951 213 H ALA 25 H ALA 25 -4.005 -4.443 7.555 214 HA ALA 25 HA ALA 25 -4.725 -6.348 8.747 215 1HB ALA 25 3HB ALA 25 -6.636 -4.392 9.438 216 2HB ALA 25 2HB ALA 25 -7.560 -5.808 8.935 217 3HB ALA 25 1HB ALA 25 -6.370 -5.946 10.229 218 H LEU 26 H LEU 26 -4.474 -6.535 6.060 219 HA LEU 26 HA LEU 26 -6.891 -7.406 4.718 220 1HB LEU 26 2HB LEU 26 -4.015 -8.066 3.999 221 2HB LEU 26 1HB LEU 26 -5.405 -8.035 2.915 222 HG LEU 26 HG LEU 26 -4.364 -5.625 4.418 223 1HD1 LEU 26 2HD1 LEU 26 -3.006 -6.704 2.423 224 2HD1 LEU 26 1HD1 LEU 26 -4.262 -5.951 1.438 225 3HD1 LEU 26 3HD1 LEU 26 -3.249 -4.959 2.488 226 1HD2 LEU 26 3HD2 LEU 26 -6.880 -6.160 3.302 227 2HD2 LEU 26 2HD2 LEU 26 -6.243 -4.572 3.731 228 3HD2 LEU 26 1HD2 LEU 26 -6.054 -5.183 2.087 229 HA PRO 27 HA PRO 27 -7.084 -11.583 6.009 230 1HB PRO 27 2HB PRO 27 -7.635 -12.931 3.674 231 2HB PRO 27 1HB PRO 27 -8.813 -11.920 4.536 232 1HG PRO 27 2HG PRO 27 -7.306 -11.329 2.028 233 2HG PRO 27 1HG PRO 27 -8.882 -10.719 2.560 234 1HD PRO 27 2HD PRO 27 -6.441 -9.327 2.674 235 2HD PRO 27 1HD PRO 27 -7.932 -8.865 3.521 236 H GLU 28 H GLU 28 -6.346 -13.972 5.129 237 HA GLU 28 HA GLU 28 -3.428 -13.860 5.145 238 1HB GLU 28 2HB GLU 28 -4.597 -15.581 6.435 239 2HB GLU 28 1HB GLU 28 -5.348 -16.200 4.962 240 1HG GLU 28 2HG GLU 28 -3.533 -17.454 4.517 241 2HG GLU 28 1HG GLU 28 -2.497 -16.029 4.583 242 H TYR 29 H TYR 29 -5.940 -14.785 2.804 243 HA TYR 29 HA TYR 29 -3.990 -15.683 0.841 244 1HB TYR 29 2HB TYR 29 -6.030 -15.577 -0.707 245 2HB TYR 29 1HB TYR 29 -6.133 -16.683 0.667 246 HD1 TYR 29 HD2 TYR 29 -6.752 -13.037 -0.039 247 HD2 TYR 29 HD1 TYR 29 -8.105 -16.639 1.879 248 HE1 TYR 29 HE2 TYR 29 -8.787 -11.858 0.754 249 HE2 TYR 29 HE1 TYR 29 -10.135 -15.456 2.672 250 HH TYR 29 HH TYR 29 -11.473 -13.260 1.713 251 H TYR 30 H TYR 30 -4.521 -12.675 1.972 252 HA TYR 30 HA TYR 30 -5.025 -10.839 0.028 253 1HB TYR 30 2HB TYR 30 -4.156 -10.194 2.221 254 2HB TYR 30 1HB TYR 30 -2.576 -10.864 1.818 255 HD1 TYR 30 HD1 TYR 30 -4.721 -9.057 -0.597 256 HD2 TYR 30 HD2 TYR 30 -1.324 -8.817 2.023 257 HE1 TYR 30 HE1 TYR 30 -4.077 -6.889 -1.624 258 HE2 TYR 30 HE2 TYR 30 -0.676 -6.662 0.989 259 HH TYR 30 HH TYR 30 -1.267 -5.605 -1.585 260 H GLY 31 H GLY 31 -4.571 -11.015 -2.097 261 1HA GLY 31 2HA GLY 31 -2.535 -12.512 -3.313 262 2HA GLY 31 1HA GLY 31 -3.305 -11.118 -4.074 263 H GLU 32 H GLU 32 -2.254 -9.500 -1.644 264 HA GLU 32 HA GLU 32 -0.396 -8.127 -1.248 265 1HB GLU 32 2HB GLU 32 1.192 -10.451 -2.374 266 2HB GLU 32 1HB GLU 32 1.787 -9.173 -1.314 267 1HG GLU 32 2HG GLU 32 -0.212 -10.044 0.232 268 2HG GLU 32 1HG GLU 32 0.082 -11.535 -0.664 269 H ASN 33 H ASN 33 -1.702 -7.467 -3.516 270 HA ASN 33 HA ASN 33 0.434 -6.368 -5.171 271 1HB ASN 33 2HB ASN 33 -0.819 -7.372 -7.277 272 2HB ASN 33 1HB ASN 33 0.427 -8.309 -6.453 273 1HD2 ASN 33 2HD2 ASN 33 -2.162 -10.802 -6.505 274 2HD2 ASN 33 1HD2 ASN 33 -0.814 -10.235 -7.367 275 H LEU 34 H LEU 34 -1.047 -5.523 -7.345 276 HA LEU 34 HA LEU 34 -2.744 -3.509 -6.107 277 1HB LEU 34 2HB LEU 34 -3.228 -2.971 -8.608 278 2HB LEU 34 1HB LEU 34 -1.596 -2.706 -7.994 279 HG LEU 34 HG LEU 34 -2.025 -5.442 -8.952 280 1HD1 LEU 34 1HD1 LEU 34 -2.924 -3.185 -10.584 281 2HD1 LEU 34 3HD1 LEU 34 -1.655 -4.124 -11.372 282 3HD1 LEU 34 2HD1 LEU 34 -3.142 -4.916 -10.849 283 1HD2 LEU 34 1HD2 LEU 34 -0.039 -3.209 -9.429 284 2HD2 LEU 34 3HD2 LEU 34 0.187 -4.662 -8.457 285 3HD2 LEU 34 2HD2 LEU 34 0.093 -4.782 -10.215 286 H ASP 35 H ASP 35 -3.277 -6.668 -7.362 287 HA ASP 35 HA ASP 35 -6.066 -6.220 -8.074 288 1HB ASP 35 2HB ASP 35 -6.019 -8.821 -7.925 289 2HB ASP 35 1HB ASP 35 -5.195 -8.026 -9.258 290 H ALA 36 H ALA 36 -4.401 -7.982 -5.427 291 HA ALA 36 HA ALA 36 -6.888 -8.360 -3.979 292 1HB ALA 36 3HB ALA 36 -4.702 -9.766 -3.831 293 2HB ALA 36 2HB ALA 36 -4.161 -8.511 -2.717 294 3HB ALA 36 1HB ALA 36 -5.600 -9.462 -2.343 295 H LEU 37 H LEU 37 -4.301 -6.044 -3.979 296 HA LEU 37 HA LEU 37 -5.074 -4.672 -1.549 297 1HB LEU 37 2HB LEU 37 -2.824 -4.449 -2.609 298 2HB LEU 37 1HB LEU 37 -3.581 -3.593 -3.952 299 HG LEU 37 HG LEU 37 -4.554 -2.325 -1.655 300 1HD1 LEU 37 3HD1 LEU 37 -1.625 -3.043 -1.434 301 2HD1 LEU 37 2HD1 LEU 37 -2.308 -1.633 -0.624 302 3HD1 LEU 37 1HD1 LEU 37 -2.888 -3.248 -0.220 303 1HD2 LEU 37 1HD2 LEU 37 -2.503 -1.686 -3.762 304 2HD2 LEU 37 3HD2 LEU 37 -4.131 -1.046 -3.571 305 3HD2 LEU 37 2HD2 LEU 37 -2.850 -0.525 -2.478 306 H TRP 38 H TRP 38 -5.484 -3.870 -5.004 307 HA TRP 38 HA TRP 38 -7.262 -1.687 -4.643 308 1HB TRP 38 2HB TRP 38 -6.221 -2.277 -6.811 309 2HB TRP 38 1HB TRP 38 -7.121 -3.784 -6.820 310 HD1 TRP 38 HD1 TRP 38 -9.006 -3.731 -8.381 311 HE1 TRP 38 HE1 TRP 38 -10.724 -2.014 -9.237 312 HE3 TRP 38 HE3 TRP 38 -7.514 0.418 -5.774 313 HZ2 TRP 38 HZ2 TRP 38 -11.364 0.740 -8.887 314 HZ3 TRP 38 HZ3 TRP 38 -8.681 2.570 -6.087 315 HH2 TRP 38 HH2 TRP 38 -10.611 2.737 -7.628 316 H ASP 39 H ASP 39 -7.747 -5.139 -4.790 317 HA ASP 39 HA ASP 39 -10.610 -5.120 -4.704 318 1HB ASP 39 2HB ASP 39 -8.467 -7.101 -4.283 319 2HB ASP 39 1HB ASP 39 -9.943 -7.415 -3.368 320 H ALA 40 H ALA 40 -8.125 -4.844 -2.276 321 HA ALA 40 HA ALA 40 -10.019 -5.045 -0.038 322 1HB ALA 40 1HB ALA 40 -7.519 -5.673 0.039 323 2HB ALA 40 3HB ALA 40 -7.210 -3.939 0.117 324 3HB ALA 40 2HB ALA 40 -8.146 -4.726 1.388 325 H LEU 41 H LEU 41 -7.739 -2.429 -0.849 326 HA LEU 41 HA LEU 41 -8.824 -0.300 0.441 327 1HB LEU 41 2HB LEU 41 -7.693 -0.465 -2.341 328 2HB LEU 41 1HB LEU 41 -8.172 1.082 -1.644 329 HG LEU 41 HG LEU 41 -6.397 -0.790 -0.107 330 1HD1 LEU 41 2HD1 LEU 41 -5.533 1.221 -2.206 331 2HD1 LEU 41 1HD1 LEU 41 -4.443 0.463 -1.034 332 3HD1 LEU 41 3HD1 LEU 41 -5.271 -0.524 -2.242 333 1HD2 LEU 41 3HD2 LEU 41 -7.579 1.395 0.736 334 2HD2 LEU 41 2HD2 LEU 41 -5.908 1.062 1.183 335 3HD2 LEU 41 1HD2 LEU 41 -6.262 2.197 -0.120 336 H THR 42 H THR 42 -10.008 -1.633 -2.561 337 HA THR 42 HA THR 42 -12.267 0.236 -2.666 338 HB THR 42 HB THR 42 -12.913 -0.917 -4.671 339 HG1 THR 42 HG1 THR 42 -11.948 -2.905 -5.202 340 1HG2 THR 42 2HG2 THR 42 -9.933 -0.660 -4.290 341 2HG2 THR 42 1HG2 THR 42 -10.626 -1.117 -5.845 342 3HG2 THR 42 3HG2 THR 42 -11.031 0.440 -5.122 343 H GLY 43 H GLY 43 -12.234 -1.208 -0.186 344 1HA GLY 43 2HA GLY 43 -14.628 -1.808 0.612 345 2HA GLY 43 1HA GLY 43 -14.475 -3.140 -0.537 346 H TRP 44 H TRP 44 -12.181 -1.787 1.912 347 HA TRP 44 HA TRP 44 -12.426 -4.044 3.674 348 1HB TRP 44 2HB TRP 44 -11.370 -5.272 1.821 349 2HB TRP 44 1HB TRP 44 -10.058 -4.094 1.778 350 HD1 TRP 44 HD1 TRP 44 -8.880 -3.780 4.397 351 HE1 TRP 44 HE1 TRP 44 -8.074 -5.693 5.925 352 HE3 TRP 44 HE3 TRP 44 -11.534 -7.662 2.420 353 HZ2 TRP 44 HZ2 TRP 44 -8.501 -8.501 6.263 354 HZ3 TRP 44 HZ3 TRP 44 -11.319 -9.944 3.361 355 HH2 TRP 44 HH2 TRP 44 -9.806 -10.369 5.278 356 H VAL 45 H VAL 45 -9.662 -2.247 2.393 357 HA VAL 45 HA VAL 45 -8.220 -1.675 4.625 358 HB VAL 45 HB VAL 45 -8.905 -0.114 2.191 359 1HG1 VAL 45 2HG1 VAL 45 -7.372 0.995 4.537 360 2HG1 VAL 45 1HG1 VAL 45 -7.270 1.647 2.902 361 3HG1 VAL 45 3HG1 VAL 45 -8.807 1.672 3.764 362 1HG2 VAL 45 3HG2 VAL 45 -6.767 -1.800 3.183 363 2HG2 VAL 45 2HG2 VAL 45 -7.105 -1.289 1.532 364 3HG2 VAL 45 1HG2 VAL 45 -6.138 -0.263 2.592 365 H GLU 46 H GLU 46 -11.343 -0.340 3.863 366 HA GLU 46 HA GLU 46 -12.848 0.822 5.253 367 1HB GLU 46 2HB GLU 46 -11.477 -0.623 7.022 368 2HB GLU 46 1HB GLU 46 -10.841 0.961 7.463 369 1HG GLU 46 2HG GLU 46 -12.862 0.382 8.786 370 2HG GLU 46 1HG GLU 46 -13.122 1.812 7.785 371 H TYR 47 H TYR 47 -13.177 2.969 5.020 372 HA TYR 47 HA TYR 47 -10.786 4.770 5.076 373 1HB TYR 47 2HB TYR 47 -13.301 4.924 3.383 374 2HB TYR 47 1HB TYR 47 -11.997 6.112 3.357 375 HD1 TYR 47 HD2 TYR 47 -9.617 4.290 3.652 376 HD2 TYR 47 HD1 TYR 47 -13.156 3.955 1.226 377 HE1 TYR 47 HE2 TYR 47 -8.375 2.882 2.026 378 HE2 TYR 47 HE1 TYR 47 -11.905 2.551 -0.391 379 HH TYR 47 HH TYR 47 -9.579 2.176 -1.064 380 HA PRO 48 HA PRO 48 -11.076 7.186 4.404 381 1HB PRO 48 2HB PRO 48 -9.966 9.139 5.985 382 2HB PRO 48 1HB PRO 48 -11.466 9.344 5.059 383 1HG PRO 48 2HG PRO 48 -11.110 8.897 7.995 384 2HG PRO 48 1HG PRO 48 -12.391 9.773 7.139 385 1HD PRO 48 2HD PRO 48 -12.643 7.184 8.185 386 2HD PRO 48 1HD PRO 48 -13.699 7.891 6.940 387 H LEU 49 H LEU 49 -8.908 6.745 4.061 388 HA LEU 49 HA LEU 49 -7.437 5.518 6.359 389 1HB LEU 49 2HB LEU 49 -7.776 3.735 4.899 390 2HB LEU 49 1HB LEU 49 -7.733 4.764 3.473 391 HG LEU 49 HG LEU 49 -5.211 5.101 4.073 392 1HD1 LEU 49 2HD1 LEU 49 -6.105 3.158 6.062 393 2HD1 LEU 49 1HD1 LEU 49 -4.771 2.539 5.092 394 3HD1 LEU 49 3HD1 LEU 49 -4.587 4.047 5.982 395 1HD2 LEU 49 3HD2 LEU 49 -6.610 3.306 2.456 396 2HD2 LEU 49 2HD2 LEU 49 -4.906 3.738 2.324 397 3HD2 LEU 49 1HD2 LEU 49 -5.393 2.331 3.272 398 H VAL 50 H VAL 50 -5.046 5.800 6.240 399 HA VAL 50 HA VAL 50 -4.265 8.240 4.699 400 HB VAL 50 HB VAL 50 -4.038 7.634 7.597 401 1HG1 VAL 50 3HG1 VAL 50 -1.704 8.583 5.958 402 2HG1 VAL 50 2HG1 VAL 50 -1.956 9.255 7.569 403 3HG1 VAL 50 1HG1 VAL 50 -1.717 7.520 7.365 404 1HG2 VAL 50 3HG2 VAL 50 -5.308 9.518 6.325 405 2HG2 VAL 50 2HG2 VAL 50 -4.428 9.939 7.794 406 3HG2 VAL 50 1HG2 VAL 50 -3.724 10.285 6.214 407 H LEU 51 H LEU 51 -3.068 7.260 3.061 408 HA LEU 51 HA LEU 51 -1.259 5.027 3.710 409 1HB LEU 51 2HB LEU 51 -2.519 5.187 1.518 410 2HB LEU 51 1HB LEU 51 -1.492 6.567 1.112 411 HG LEU 51 HG LEU 51 0.493 4.971 1.598 412 1HD1 LEU 51 1HD1 LEU 51 -1.843 3.128 1.600 413 2HD1 LEU 51 3HD1 LEU 51 -0.347 2.573 0.832 414 3HD1 LEU 51 2HD1 LEU 51 -0.347 3.048 2.542 415 1HD2 LEU 51 1HD2 LEU 51 -1.359 4.743 -0.761 416 2HD2 LEU 51 3HD2 LEU 51 0.134 5.679 -0.631 417 3HD2 LEU 51 2HD2 LEU 51 0.199 3.917 -0.710 418 H GLU 52 H GLU 52 -0.166 6.674 5.304 419 HA GLU 52 HA GLU 52 1.482 8.765 4.210 420 1HB GLU 52 2HB GLU 52 0.981 8.721 6.593 421 2HB GLU 52 1HB GLU 52 1.750 7.143 6.760 422 1HG GLU 52 2HG GLU 52 3.463 8.563 7.460 423 2HG GLU 52 1HG GLU 52 3.843 8.379 5.747 424 H TRP 53 H TRP 53 2.472 7.725 2.332 425 HA TRP 53 HA TRP 53 4.165 5.389 2.758 426 1HB TRP 53 2HB TRP 53 2.907 6.126 0.574 427 2HB TRP 53 1HB TRP 53 4.359 7.094 0.300 428 HD1 TRP 53 HD1 TRP 53 6.707 5.452 1.009 429 HE1 TRP 53 HE1 TRP 53 7.223 3.127 0.019 430 HE3 TRP 53 HE3 TRP 53 2.056 4.158 -0.629 431 HZ2 TRP 53 HZ2 TRP 53 5.826 1.007 -1.298 432 HZ3 TRP 53 HZ3 TRP 53 1.668 1.989 -1.746 433 HH2 TRP 53 HH2 TRP 53 3.552 0.402 -2.083 434 H ARG 54 H ARG 54 6.090 5.666 3.816 435 HA ARG 54 HA ARG 54 7.462 8.204 3.955 436 1HB ARG 54 2HB ARG 54 8.514 5.410 4.512 437 2HB ARG 54 1HB ARG 54 9.268 6.919 5.031 438 1HG ARG 54 2HG ARG 54 6.748 7.273 5.993 439 2HG ARG 54 1HG ARG 54 6.899 5.520 6.125 440 1HD ARG 54 2HD ARG 54 7.948 5.978 8.090 441 2HD ARG 54 1HD ARG 54 9.337 6.342 7.066 442 HE ARG 54 HE ARG 54 9.078 8.597 7.679 443 1HH1 ARG 54 2HH1 ARG 54 6.267 6.759 8.417 444 2HH1 ARG 54 1HH1 ARG 54 5.339 8.128 8.928 445 1HH2 ARG 54 1HH2 ARG 54 7.823 10.428 8.179 446 2HH2 ARG 54 2HH2 ARG 54 6.219 10.204 8.793 447 H GLN 55 H GLN 55 10.160 6.865 3.412 448 HA GLN 55 HA GLN 55 10.812 7.890 0.957 449 1HB GLN 55 2HB GLN 55 12.693 6.434 0.885 450 2HB GLN 55 1HB GLN 55 12.344 6.667 2.594 451 1HG GLN 55 2HG GLN 55 11.801 4.240 0.882 452 2HG GLN 55 1HG GLN 55 12.696 4.339 2.394 453 1HE2 GLN 55 2HE2 GLN 55 8.871 3.347 2.607 454 2HE2 GLN 55 1HE2 GLN 55 9.864 3.143 1.248 455 H PHE 56 H PHE 56 9.190 7.738 -0.617 456 HA PHE 56 HA PHE 56 7.977 5.211 -1.354 457 1HB PHE 56 2HB PHE 56 6.895 7.433 -1.721 458 2HB PHE 56 1HB PHE 56 8.114 7.792 -2.943 459 HD1 PHE 56 HD2 PHE 56 6.371 4.566 -2.208 460 HD2 PHE 56 HD1 PHE 56 6.947 7.786 -4.993 461 HE1 PHE 56 HE2 PHE 56 5.035 3.347 -3.895 462 HE2 PHE 56 HE1 PHE 56 5.611 6.566 -6.679 463 HZ PHE 56 HZ PHE 56 4.652 4.346 -6.134 464 H GLU 57 H GLU 57 10.543 7.237 -2.783 465 HA GLU 57 HA GLU 57 11.066 5.916 -5.155 466 1HB GLU 57 2HB GLU 57 12.670 7.441 -3.228 467 2HB GLU 57 1HB GLU 57 13.620 6.294 -4.173 468 1HG GLU 57 2HG GLU 57 12.405 7.224 -6.232 469 2HG GLU 57 1HG GLU 57 11.867 8.537 -5.185 470 H GLN 58 H GLN 58 13.303 5.139 -2.517 471 HA GLN 58 HA GLN 58 14.081 2.637 -3.410 472 1HB GLN 58 2HB GLN 58 14.143 2.111 -0.783 473 2HB GLN 58 1HB GLN 58 15.287 3.221 -1.537 474 1HG GLN 58 2HG GLN 58 12.734 4.467 -0.754 475 2HG GLN 58 1HG GLN 58 13.689 3.859 0.598 476 1HE2 GLN 58 2HE2 GLN 58 15.572 6.839 0.465 477 2HE2 GLN 58 1HE2 GLN 58 14.610 5.797 1.399 478 H SER 59 H SER 59 13.479 0.451 -2.410 479 HA SER 59 HA SER 59 11.866 -1.158 -1.749 480 1HB SER 59 2HB SER 59 10.738 1.054 -0.677 481 2HB SER 59 1HB SER 59 9.564 0.712 -1.949 482 HG SER 59 HG SER 59 10.514 -1.116 0.013 483 H LYS 60 H LYS 60 10.983 1.246 -4.206 484 HA LYS 60 HA LYS 60 9.413 -0.698 -5.732 485 1HB LYS 60 2HB LYS 60 10.332 2.129 -6.224 486 2HB LYS 60 1HB LYS 60 9.452 1.198 -7.439 487 1HG LYS 60 2HG LYS 60 7.580 0.890 -5.901 488 2HG LYS 60 1HG LYS 60 8.467 1.719 -4.620 489 1HD LYS 60 2HD LYS 60 7.660 2.963 -7.266 490 2HD LYS 60 1HD LYS 60 6.840 3.225 -5.728 491 1HE LYS 60 2HE LYS 60 8.325 4.819 -5.175 492 2HE LYS 60 1HE LYS 60 9.650 3.670 -5.361 493 1HZ LYS 60 2HZ LYS 60 9.619 4.110 -7.753 494 2HZ LYS 60 1HZ LYS 60 8.399 5.271 -7.526 495 3HZ LYS 60 3HZ LYS 60 9.937 5.519 -6.857 496 H GLN 61 H GLN 61 12.748 0.296 -5.593 497 HA GLN 61 HA GLN 61 13.394 -0.459 -8.331 498 1HB GLN 61 2HB GLN 61 14.670 1.036 -6.446 499 2HB GLN 61 1HB GLN 61 15.557 -0.483 -6.323 500 1HG GLN 61 2HG GLN 61 15.632 -0.373 -8.929 501 2HG GLN 61 1HG GLN 61 15.258 1.335 -8.702 502 1HE2 GLN 61 2HE2 GLN 61 18.811 -0.015 -7.106 503 2HE2 GLN 61 1HE2 GLN 61 17.465 -1.050 -7.108 504 H LEU 62 H LEU 62 14.633 -1.790 -5.352 505 HA LEU 62 HA LEU 62 15.702 -4.158 -6.045 506 1HB LEU 62 2HB LEU 62 13.888 -4.827 -3.910 507 2HB LEU 62 1HB LEU 62 15.632 -4.592 -3.840 508 HG LEU 62 HG LEU 62 15.247 -2.124 -3.677 509 1HD1 LEU 62 1HD1 LEU 62 12.734 -2.707 -4.615 510 2HD1 LEU 62 3HD1 LEU 62 12.425 -2.494 -2.898 511 3HD1 LEU 62 2HD1 LEU 62 13.169 -1.194 -3.829 512 1HD2 LEU 62 1HD2 LEU 62 14.125 -4.039 -1.649 513 2HD2 LEU 62 3HD2 LEU 62 15.617 -3.099 -1.584 514 3HD2 LEU 62 2HD2 LEU 62 14.059 -2.301 -1.357 515 H THR 63 H THR 63 12.277 -3.499 -6.172 516 HA THR 63 HA THR 63 11.768 -6.270 -7.121 517 HB THR 63 HB THR 63 10.320 -5.199 -5.318 518 HG1 THR 63 HG1 THR 63 9.737 -6.830 -7.156 519 1HG2 THR 63 1HG2 THR 63 10.303 -2.967 -6.586 520 2HG2 THR 63 3HG2 THR 63 9.068 -3.698 -7.607 521 3HG2 THR 63 2HG2 THR 63 8.777 -3.504 -5.882 522 H GLU 64 H GLU 64 9.352 -5.230 -8.594 523 HA GLU 64 HA GLU 64 10.809 -4.082 -10.939 524 1HB GLU 64 2HB GLU 64 9.041 -5.249 -12.323 525 2HB GLU 64 1HB GLU 64 10.132 -6.342 -11.469 526 1HG GLU 64 2HG GLU 64 8.495 -6.711 -9.721 527 2HG GLU 64 1HG GLU 64 7.429 -5.480 -10.402 528 H ASN 65 H ASN 65 7.878 -4.073 -8.995 529 HA ASN 65 HA ASN 65 7.340 -1.318 -9.357 530 1HB ASN 65 2HB ASN 65 6.492 -2.997 -11.569 531 2HB ASN 65 1HB ASN 65 5.104 -2.226 -10.802 532 1HD2 ASN 65 2HD2 ASN 65 7.263 -0.016 -13.266 533 2HD2 ASN 65 1HD2 ASN 65 7.171 -1.710 -13.290 534 H GLY 66 H GLY 66 7.242 -3.447 -7.367 535 1HA GLY 66 2HA GLY 66 4.473 -4.055 -6.772 536 2HA GLY 66 1HA GLY 66 5.841 -4.273 -5.675 537 H ALA 67 H ALA 67 6.827 -1.944 -5.072 538 HA ALA 67 HA ALA 67 4.932 -0.657 -3.410 539 1HB ALA 67 2HB ALA 67 7.689 -0.144 -4.287 540 2HB ALA 67 1HB ALA 67 6.785 1.320 -3.898 541 3HB ALA 67 3HB ALA 67 6.962 0.047 -2.692 542 H GLU 68 H GLU 68 6.019 0.223 -6.694 543 HA GLU 68 HA GLU 68 4.475 2.623 -6.821 544 1HB GLU 68 2HB GLU 68 6.395 1.540 -8.396 545 2HB GLU 68 1HB GLU 68 4.959 1.155 -9.345 546 1HG GLU 68 2HG GLU 68 5.593 3.920 -8.279 547 2HG GLU 68 1HG GLU 68 5.963 3.384 -9.918 548 H SER 69 H SER 69 3.660 -0.724 -7.184 549 HA SER 69 HA SER 69 1.198 -0.189 -8.675 550 1HB SER 69 2HB SER 69 1.601 -2.354 -9.194 551 2HB SER 69 1HB SER 69 2.739 -2.526 -7.862 552 HG SER 69 HG SER 69 1.231 -3.550 -6.838 553 H VAL 70 H VAL 70 1.828 -1.471 -5.363 554 HA VAL 70 HA VAL 70 -0.802 -1.424 -4.455 555 HB VAL 70 HB VAL 70 1.711 -0.632 -2.946 556 1HG1 VAL 70 3HG1 VAL 70 -1.024 -0.308 -2.225 557 2HG1 VAL 70 2HG1 VAL 70 -0.392 -1.646 -1.272 558 3HG1 VAL 70 1HG1 VAL 70 0.395 -0.067 -1.205 559 1HG2 VAL 70 1HG2 VAL 70 1.559 -2.990 -3.864 560 2HG2 VAL 70 3HG2 VAL 70 1.669 -2.910 -2.105 561 3HG2 VAL 70 2HG2 VAL 70 0.114 -3.217 -2.878 562 H LEU 71 H LEU 71 1.444 1.105 -5.158 563 HA LEU 71 HA LEU 71 -0.138 3.112 -3.822 564 1HB LEU 71 2HB LEU 71 2.390 3.222 -4.200 565 2HB LEU 71 1HB LEU 71 2.007 3.646 -5.871 566 HG LEU 71 HG LEU 71 0.832 5.612 -5.206 567 1HD1 LEU 71 1HD1 LEU 71 0.769 4.219 -2.585 568 2HD1 LEU 71 3HD1 LEU 71 0.901 5.981 -2.530 569 3HD1 LEU 71 2HD1 LEU 71 -0.465 5.223 -3.360 570 1HD2 LEU 71 3HD2 LEU 71 3.369 5.219 -3.612 571 2HD2 LEU 71 2HD2 LEU 71 3.196 5.988 -5.189 572 3HD2 LEU 71 1HD2 LEU 71 2.557 6.778 -3.748 573 H GLN 72 H GLN 72 0.392 2.116 -7.217 574 HA GLN 72 HA GLN 72 -1.210 4.127 -8.403 575 1HB GLN 72 2HB GLN 72 -0.455 1.336 -9.124 576 2HB GLN 72 1HB GLN 72 -1.833 2.032 -9.977 577 1HG GLN 72 2HG GLN 72 -0.406 4.032 -10.513 578 2HG GLN 72 1HG GLN 72 0.969 3.173 -9.818 579 1HE2 GLN 72 2HE2 GLN 72 1.012 0.697 -12.481 580 2HE2 GLN 72 1HE2 GLN 72 1.219 0.812 -10.800 581 H VAL 73 H VAL 73 -2.024 1.332 -6.551 582 HA VAL 73 HA VAL 73 -4.886 1.475 -7.164 583 HB VAL 73 HB VAL 73 -3.330 -0.213 -5.192 584 1HG1 VAL 73 1HG1 VAL 73 -5.794 0.249 -4.670 585 2HG1 VAL 73 3HG1 VAL 73 -6.152 -0.609 -6.167 586 3HG1 VAL 73 2HG1 VAL 73 -5.337 -1.447 -4.849 587 1HG2 VAL 73 1HG2 VAL 73 -3.545 -0.276 -7.989 588 2HG2 VAL 73 3HG2 VAL 73 -2.954 -1.577 -6.953 589 3HG2 VAL 73 2HG2 VAL 73 -4.659 -1.524 -7.421 590 H PHE 74 H PHE 74 -2.810 2.199 -4.343 591 HA PHE 74 HA PHE 74 -4.817 2.906 -2.533 592 1HB PHE 74 2HB PHE 74 -1.945 3.521 -2.921 593 2HB PHE 74 1HB PHE 74 -2.842 4.680 -1.962 594 HD1 PHE 74 HD2 PHE 74 -4.534 3.551 -0.186 595 HD2 PHE 74 HD1 PHE 74 -1.005 1.716 -1.813 596 HE1 PHE 74 HE2 PHE 74 -4.462 1.956 1.702 597 HE2 PHE 74 HE1 PHE 74 -0.956 0.135 0.096 598 HZ PHE 74 HZ PHE 74 -2.702 0.263 1.832 599 H ARG 75 H ARG 75 -2.927 4.957 -4.711 600 HA ARG 75 HA ARG 75 -4.518 7.307 -4.423 601 1HB ARG 75 2HB ARG 75 -2.371 6.359 -6.208 602 2HB ARG 75 1HB ARG 75 -3.480 7.509 -6.960 603 1HG ARG 75 2HG ARG 75 -3.039 9.174 -5.328 604 2HG ARG 75 1HG ARG 75 -2.283 8.013 -4.234 605 1HD ARG 75 2HD ARG 75 -0.545 9.338 -5.319 606 2HD ARG 75 1HD ARG 75 -0.464 7.679 -5.911 607 HE ARG 75 HE ARG 75 -1.677 9.936 -7.454 608 1HH1 ARG 75 1HH2 ARG 75 -2.689 7.848 -8.883 609 2HH1 ARG 75 2HH2 ARG 75 -1.400 7.196 -9.839 610 1HH2 ARG 75 2HH1 ARG 75 1.104 8.679 -7.952 611 2HH2 ARG 75 1HH1 ARG 75 0.748 7.666 -9.312 612 H GLU 76 H GLU 76 -4.701 4.555 -6.750 613 HA GLU 76 HA GLU 76 -6.701 5.657 -8.438 614 1HB GLU 76 2HB GLU 76 -5.785 2.946 -7.712 615 2HB GLU 76 1HB GLU 76 -7.437 3.038 -8.321 616 1HG GLU 76 2HG GLU 76 -6.769 3.917 -10.378 617 2HG GLU 76 1HG GLU 76 -5.221 4.476 -9.743 618 H ALA 77 H ALA 77 -6.915 4.341 -5.208 619 HA ALA 77 HA ALA 77 -9.838 4.179 -5.221 620 1HB ALA 77 1HB ALA 77 -7.861 3.040 -3.674 621 2HB ALA 77 3HB ALA 77 -8.444 4.330 -2.626 622 3HB ALA 77 2HB ALA 77 -9.566 3.111 -3.221 623 H LYS 78 H LYS 78 -7.421 6.297 -3.612 624 HA LYS 78 HA LYS 78 -9.343 8.121 -2.567 625 1HB LYS 78 2HB LYS 78 -7.489 9.453 -2.024 626 2HB LYS 78 1HB LYS 78 -6.813 7.831 -2.038 627 1HG LYS 78 2HG LYS 78 -5.261 8.718 -3.439 628 2HG LYS 78 1HG LYS 78 -6.523 8.575 -4.663 629 1HD LYS 78 2HD LYS 78 -5.832 10.831 -4.820 630 2HD LYS 78 1HD LYS 78 -7.305 10.901 -3.852 631 1HE LYS 78 2HE LYS 78 -6.145 11.881 -2.193 632 2HE LYS 78 1HE LYS 78 -5.149 10.432 -2.058 633 1HZ LYS 78 1HZ LYS 78 -4.647 12.534 -4.083 634 2HZ LYS 78 3HZ LYS 78 -3.936 12.561 -2.543 635 3HZ LYS 78 2HZ LYS 78 -3.612 11.274 -3.604 636 H ALA 79 H ALA 79 -8.365 7.482 -5.750 637 HA ALA 79 HA ALA 79 -8.904 10.191 -6.787 638 1HB ALA 79 1HB ALA 79 -7.274 8.179 -7.659 639 2HB ALA 79 3HB ALA 79 -8.709 7.889 -8.646 640 3HB ALA 79 2HB ALA 79 -7.892 9.456 -8.707 641 H GLU 80 H GLU 80 -10.043 6.980 -7.736 642 HA GLU 80 HA GLU 80 -12.374 7.768 -9.046 643 1HB GLU 80 2HB GLU 80 -12.065 5.235 -7.419 644 2HB GLU 80 1HB GLU 80 -13.088 5.488 -8.831 645 1HG GLU 80 2HG GLU 80 -10.330 6.196 -9.400 646 2HG GLU 80 1HG GLU 80 -10.470 4.523 -8.856 647 H GLY 81 H GLY 81 -12.320 6.445 -5.685 648 1HA GLY 81 2HA GLY 81 -14.281 8.496 -4.896 649 2HA GLY 81 1HA GLY 81 -14.926 6.853 -4.948 650 H ALA 82 H ALA 82 -12.446 5.592 -4.048 651 HA ALA 82 HA ALA 82 -12.804 5.280 -1.362 652 1HB ALA 82 1HB ALA 82 -10.804 4.597 -3.144 653 2HB ALA 82 3HB ALA 82 -9.946 5.563 -1.942 654 3HB ALA 82 2HB ALA 82 -10.858 4.137 -1.443 655 H ASP 83 H ASP 83 -12.005 6.255 0.565 656 HA ASP 83 HA ASP 83 -11.348 9.151 0.256 657 1HB ASP 83 2HB ASP 83 -12.936 7.577 2.199 658 2HB ASP 83 1HB ASP 83 -11.917 8.829 2.909 659 H ILE 84 H ILE 84 -9.173 7.832 -0.263 660 HA ILE 84 HA ILE 84 -7.701 7.398 2.293 661 HB ILE 84 HB ILE 84 -7.086 6.524 -0.540 662 1HG1 ILE 84 2HG1 ILE 84 -7.558 4.634 1.676 663 2HG1 ILE 84 1HG1 ILE 84 -8.963 5.529 1.109 664 1HG2 ILE 84 1HG2 ILE 84 -5.173 6.997 1.260 665 2HG2 ILE 84 3HG2 ILE 84 -5.718 5.445 1.896 666 3HG2 ILE 84 2HG2 ILE 84 -5.116 5.558 0.238 667 1HD1 ILE 84 1HD1 ILE 84 -7.382 4.617 -1.124 668 2HD1 ILE 84 3HD1 ILE 84 -7.808 3.262 -0.080 669 3HD1 ILE 84 2HD1 ILE 84 -9.074 4.291 -0.752 670 H THR 85 H THR 85 -5.691 8.434 2.599 671 HA THR 85 HA THR 85 -5.204 10.775 0.815 672 HB THR 85 HB THR 85 -4.146 10.464 3.631 673 HG1 THR 85 HG1 THR 85 -6.252 10.435 4.037 674 1HG2 THR 85 1HG2 THR 85 -4.036 12.452 1.527 675 2HG2 THR 85 3HG2 THR 85 -4.768 13.128 2.984 676 3HG2 THR 85 2HG2 THR 85 -3.161 12.404 3.057 677 H ILE 86 H ILE 86 -3.752 9.920 -0.650 678 HA ILE 86 HA ILE 86 -1.626 8.134 0.253 679 HB ILE 86 HB ILE 86 -2.751 9.023 -2.317 680 1HG1 ILE 86 2HG1 ILE 86 -2.453 6.725 -2.874 681 2HG1 ILE 86 1HG1 ILE 86 -1.210 6.511 -1.644 682 1HG2 ILE 86 2HG2 ILE 86 0.228 8.629 -1.976 683 2HG2 ILE 86 1HG2 ILE 86 -0.580 8.286 -3.506 684 3HG2 ILE 86 3HG2 ILE 86 -0.613 9.918 -2.837 685 1HD1 ILE 86 3HD1 ILE 86 -3.478 7.419 -0.236 686 2HD1 ILE 86 2HD1 ILE 86 -4.090 6.249 -1.399 687 3HD1 ILE 86 1HD1 ILE 86 -2.832 5.777 -0.256 688 H ILE 87 H ILE 87 0.135 8.902 1.224 689 HA ILE 87 HA ILE 87 1.085 11.628 0.418 690 HB ILE 87 HB ILE 87 1.253 10.153 3.049 691 1HG1 ILE 87 2HG1 ILE 87 0.404 13.000 2.560 692 2HG1 ILE 87 1HG1 ILE 87 -0.726 11.674 2.283 693 1HG2 ILE 87 1HG2 ILE 87 3.026 12.242 1.907 694 2HG2 ILE 87 3HG2 ILE 87 2.470 12.519 3.557 695 3HG2 ILE 87 2HG2 ILE 87 3.358 11.047 3.161 696 1HD1 ILE 87 2HD1 ILE 87 -0.007 10.884 4.664 697 2HD1 ILE 87 1HD1 ILE 87 0.572 12.538 4.858 698 3HD1 ILE 87 3HD1 ILE 87 -1.133 12.235 4.527 699 H LEU 88 H LEU 88 3.289 11.889 -0.043 700 HA LEU 88 HA LEU 88 5.020 9.478 0.078 701 1HB LEU 88 2HB LEU 88 4.391 11.074 -2.421 702 2HB LEU 88 1HB LEU 88 5.751 9.958 -2.296 703 HG LEU 88 HG LEU 88 3.537 8.530 -1.320 704 1HD1 LEU 88 3HD1 LEU 88 2.149 10.337 -2.405 705 2HD1 LEU 88 2HD1 LEU 88 2.854 9.869 -3.952 706 3HD1 LEU 88 1HD1 LEU 88 1.861 8.722 -3.053 707 1HD2 LEU 88 2HD2 LEU 88 5.605 8.269 -3.183 708 2HD2 LEU 88 1HD2 LEU 88 4.454 7.015 -2.723 709 3HD2 LEU 88 3HD2 LEU 88 4.136 8.033 -4.129 710 H SER 89 HN SER 89 4.765 12.948 -0.682 711 HA SER 89 HA SER 89 6.400 14.647 -0.536 712 1HB SER 89 2HB SER 89 5.722 13.766 1.919 713 2HB SER 89 1HB SER 89 7.444 13.386 1.952 714 HG SER 89 HG SER 89 7.008 15.520 2.665 No H/Q in entry = 714 Start of MODEL 5 1 1H LYS 1 2H LYS 1 -8.589 5.742 8.645 2 2H LYS 1 1H LYS 1 -8.504 4.314 7.725 3 3H LYS 1 3H LYS 1 -9.400 4.342 9.165 4 HA LYS 1 HA LYS 1 -7.469 4.526 10.495 5 1HB LYS 1 2HB LYS 1 -7.931 2.364 8.695 6 2HB LYS 1 1HB LYS 1 -6.186 2.586 8.822 7 1HG LYS 1 2HG LYS 1 -6.837 1.086 10.589 8 2HG LYS 1 1HG LYS 1 -6.473 2.642 11.337 9 1HD LYS 1 2HD LYS 1 -9.090 3.021 10.843 10 2HD LYS 1 1HD LYS 1 -9.093 1.264 11.008 11 1HE LYS 1 2HE LYS 1 -7.572 1.874 13.138 12 2HE LYS 1 1HE LYS 1 -8.517 3.360 13.047 13 1HZ LYS 1 3HZ LYS 1 -9.852 0.740 12.874 14 2HZ LYS 1 2HZ LYS 1 -9.427 1.381 14.389 15 3HZ LYS 1 1HZ LYS 1 -10.487 2.232 13.370 16 H LYS 2 H LYS 2 -4.875 3.958 10.038 17 HA LYS 2 HA LYS 2 -3.969 5.995 8.046 18 1HB LYS 2 2HB LYS 2 -3.705 7.098 10.130 19 2HB LYS 2 1HB LYS 2 -3.130 5.633 10.926 20 1HG LYS 2 2HG LYS 2 -1.000 6.084 10.348 21 2HG LYS 2 1HG LYS 2 -1.451 6.280 8.653 22 1HD LYS 2 2HD LYS 2 -2.263 8.596 9.211 23 2HD LYS 2 1HD LYS 2 -1.600 8.383 10.830 24 1HE LYS 2 2HE LYS 2 0.163 7.858 8.461 25 2HE LYS 2 1HE LYS 2 -0.140 9.526 8.950 26 1HZ LYS 2 1HZ LYS 2 0.495 8.791 11.251 27 2HZ LYS 2 3HZ LYS 2 1.055 7.347 10.561 28 3HZ LYS 2 2HZ LYS 2 1.762 8.827 10.119 29 H ALA 3 H ALA 3 -3.034 4.708 6.504 30 HA ALA 3 HA ALA 3 -1.538 2.296 7.261 31 1HB ALA 3 1HB ALA 3 -2.421 3.587 4.715 32 2HB ALA 3 3HB ALA 3 -1.020 2.518 4.646 33 3HB ALA 3 2HB ALA 3 -2.567 1.907 5.230 34 H VAL 4 H VAL 4 0.751 2.065 6.955 35 HA VAL 4 HA VAL 4 2.241 4.556 6.323 36 HB VAL 4 HB VAL 4 2.929 2.866 8.735 37 1HG1 VAL 4 2HG1 VAL 4 4.353 4.780 7.319 38 2HG1 VAL 4 1HG1 VAL 4 3.662 5.700 8.654 39 3HG1 VAL 4 3HG1 VAL 4 4.669 4.291 8.984 40 1HG2 VAL 4 3HG2 VAL 4 0.673 3.889 9.007 41 2HG2 VAL 4 2HG2 VAL 4 1.859 4.596 10.105 42 3HG2 VAL 4 1HG2 VAL 4 1.370 5.469 8.653 43 H ILE 5 H ILE 5 3.725 4.063 4.829 44 HA ILE 5 HA ILE 5 4.644 1.248 4.557 45 HB ILE 5 HB ILE 5 5.210 3.560 2.689 46 1HG1 ILE 5 2HG1 ILE 5 2.697 3.070 3.293 47 2HG1 ILE 5 1HG1 ILE 5 3.158 3.274 1.615 48 1HG2 ILE 5 3HG2 ILE 5 5.745 0.693 2.719 49 2HG2 ILE 5 2HG2 ILE 5 4.882 1.187 1.263 50 3HG2 ILE 5 1HG2 ILE 5 6.416 1.951 1.679 51 1HD1 ILE 5 1HD1 ILE 5 3.461 0.508 2.476 52 2HD1 ILE 5 3HD1 ILE 5 1.811 1.091 2.695 53 3HD1 ILE 5 2HD1 ILE 5 2.567 1.166 1.102 54 H ASN 6 H ASN 6 6.459 0.820 5.695 55 HA ASN 6 HA ASN 6 8.464 3.002 6.019 56 1HB ASN 6 2HB ASN 6 8.665 0.447 7.552 57 2HB ASN 6 1HB ASN 6 9.067 2.088 8.055 58 1HD2 ASN 6 2HD2 ASN 6 6.080 2.169 9.890 59 2HD2 ASN 6 1HD2 ASN 6 7.764 2.379 9.866 60 H GLY 7 H GLY 7 9.424 2.667 3.932 61 1HA GLY 7 2HA GLY 7 10.319 0.092 3.033 62 2HA GLY 7 1HA GLY 7 10.879 1.647 2.404 63 H GLU 8 H GLU 8 11.402 2.116 5.518 64 HA GLU 8 HA GLU 8 14.227 1.603 5.326 65 1HB GLU 8 2HB GLU 8 12.977 3.395 6.745 66 2HB GLU 8 1HB GLU 8 12.801 2.101 7.930 67 1HG GLU 8 2HG GLU 8 14.870 2.639 8.655 68 2HG GLU 8 1HG GLU 8 15.475 1.945 7.150 69 H GLN 9 H GLN 9 11.557 -0.286 6.207 70 HA GLN 9 HA GLN 9 13.340 -2.313 7.484 71 1HB GLN 9 2HB GLN 9 11.369 -1.227 8.825 72 2HB GLN 9 1HB GLN 9 10.356 -2.282 7.839 73 1HG GLN 9 2HG GLN 9 11.319 -4.239 8.717 74 2HG GLN 9 1HG GLN 9 12.753 -3.386 9.289 75 1HE2 GLN 9 2HE2 GLN 9 9.885 -3.969 11.918 76 2HE2 GLN 9 1HE2 GLN 9 10.204 -4.932 10.558 77 H ILE 10 H ILE 10 11.151 -1.581 4.956 78 HA ILE 10 HA ILE 10 10.375 -4.259 4.242 79 HB ILE 10 HB ILE 10 10.602 -1.780 2.510 80 1HG1 ILE 10 2HG1 ILE 10 9.111 -1.678 4.579 81 2HG1 ILE 10 1HG1 ILE 10 8.299 -1.377 3.045 82 1HG2 ILE 10 1HG2 ILE 10 9.495 -4.529 2.079 83 2HG2 ILE 10 3HG2 ILE 10 8.666 -3.155 1.342 84 3HG2 ILE 10 2HG2 ILE 10 10.356 -3.479 0.953 85 1HD1 ILE 10 3HD1 ILE 10 7.697 -3.835 3.006 86 2HD1 ILE 10 2HD1 ILE 10 8.302 -3.939 4.658 87 3HD1 ILE 10 1HD1 ILE 10 6.920 -2.907 4.286 88 H ARG 11 H ARG 11 12.028 -5.698 3.957 89 HA ARG 11 HA ARG 11 14.577 -5.012 2.753 90 1HB ARG 11 2HB ARG 11 13.712 -7.843 2.588 91 2HB ARG 11 1HB ARG 11 15.196 -7.159 3.255 92 1HG ARG 11 2HG ARG 11 13.756 -6.319 5.197 93 2HG ARG 11 1HG ARG 11 12.492 -7.381 4.571 94 1HD ARG 11 2HD ARG 11 15.264 -8.449 5.063 95 2HD ARG 11 1HD ARG 11 14.114 -8.315 6.393 96 HE ARG 11 HE ARG 11 12.940 -10.143 5.477 97 1HH1 ARG 11 1HH1 ARG 11 12.989 -10.635 1.911 98 2HH1 ARG 11 2HH1 ARG 11 11.880 -10.008 3.085 99 1HH2 ARG 11 1HH2 ARG 11 15.748 -10.392 3.998 100 2HH2 ARG 11 2HH2 ARG 11 15.180 -10.852 2.428 101 H SER 12 H SER 12 11.640 -6.635 1.640 102 HA SER 12 HA SER 12 12.395 -5.933 -1.154 103 1HB SER 12 2HB SER 12 12.419 -8.591 -0.061 104 2HB SER 12 1HB SER 12 11.124 -8.473 -1.248 105 HG SER 12 HG SER 12 13.890 -8.166 -1.546 106 H ILE 13 H ILE 13 10.474 -6.135 -2.629 107 HA ILE 13 HA ILE 13 8.240 -4.729 -1.741 108 HB ILE 13 HB ILE 13 8.712 -5.183 -4.123 109 1HG1 ILE 13 2HG1 ILE 13 6.409 -5.533 -4.834 110 2HG1 ILE 13 1HG1 ILE 13 6.010 -6.290 -3.291 111 1HG2 ILE 13 3HG2 ILE 13 8.296 -7.966 -3.161 112 2HG2 ILE 13 2HG2 ILE 13 7.655 -7.585 -4.759 113 3HG2 ILE 13 1HG2 ILE 13 9.370 -7.359 -4.422 114 1HD1 ILE 13 3HD1 ILE 13 7.223 -3.677 -2.898 115 2HD1 ILE 13 2HD1 ILE 13 5.788 -3.570 -3.914 116 3HD1 ILE 13 1HD1 ILE 13 5.678 -4.289 -2.311 117 H SER 14 H SER 14 8.996 -8.092 -1.258 118 HA SER 14 HA SER 14 6.378 -9.087 -0.724 119 1HB SER 14 2HB SER 14 9.027 -10.067 -0.573 120 2HB SER 14 1HB SER 14 8.332 -10.285 1.031 121 HG SER 14 HG SER 14 7.689 -12.043 -0.083 122 H ASP 15 H ASP 15 8.832 -7.731 1.502 123 HA ASP 15 HA ASP 15 7.181 -7.902 3.832 124 1HB ASP 15 2HB ASP 15 9.753 -6.728 3.072 125 2HB ASP 15 1HB ASP 15 8.886 -5.771 4.269 126 H LEU 16 H LEU 16 7.185 -5.813 1.136 127 HA LEU 16 HA LEU 16 5.984 -3.492 2.402 128 1HB LEU 16 2HB LEU 16 7.160 -3.324 0.247 129 2HB LEU 16 1HB LEU 16 5.995 -4.415 -0.486 130 HG LEU 16 HG LEU 16 4.571 -2.715 -0.907 131 1HD1 LEU 16 2HD1 LEU 16 4.959 -2.018 2.003 132 2HD1 LEU 16 1HD1 LEU 16 4.064 -0.948 0.923 133 3HD1 LEU 16 3HD1 LEU 16 3.504 -2.599 1.191 134 1HD2 LEU 16 3HD2 LEU 16 7.132 -1.488 -0.265 135 2HD2 LEU 16 2HD2 LEU 16 6.032 -1.155 -1.605 136 3HD2 LEU 16 1HD2 LEU 16 5.782 -0.377 -0.042 137 H HIS 17 H HIS 17 4.618 -5.838 0.088 138 HA HIS 17 HA HIS 17 1.924 -5.243 0.428 139 1HB HIS 17 2HB HIS 17 3.260 -7.921 -0.007 140 2HB HIS 17 1HB HIS 17 1.516 -7.665 -0.156 141 HD1 HIS 17 HD1 HIS 17 0.854 -5.657 -1.924 142 HD2 HIS 17 HD2 HIS 17 4.650 -7.332 -2.325 143 HE1 HIS 17 HE1 HIS 17 1.679 -5.017 -4.231 144 H GLN 18 H GLN 18 4.078 -6.836 2.592 145 HA GLN 18 HA GLN 18 2.040 -7.976 4.314 146 1HB GLN 18 2HB GLN 18 4.958 -7.325 4.786 147 2HB GLN 18 1HB GLN 18 3.936 -8.138 5.971 148 1HG GLN 18 2HG GLN 18 3.402 -9.790 4.024 149 2HG GLN 18 1HG GLN 18 4.861 -9.131 3.284 150 1HE2 GLN 18 2HE2 GLN 18 5.443 -10.900 6.955 151 2HE2 GLN 18 1HE2 GLN 18 4.119 -9.860 6.738 152 H THR 19 H THR 19 4.193 -5.222 4.622 153 HA THR 19 HA THR 19 3.167 -4.025 6.943 154 HB THR 19 HB THR 19 4.430 -2.888 4.452 155 HG1 THR 19 HG1 THR 19 5.647 -4.026 6.063 156 1HG2 THR 19 3HG2 THR 19 2.853 -1.436 6.417 157 2HG2 THR 19 2HG2 THR 19 4.532 -0.894 6.411 158 3HG2 THR 19 1HG2 THR 19 3.588 -0.855 4.922 159 H LEU 20 H LEU 20 1.896 -4.020 3.697 160 HA LEU 20 HA LEU 20 -0.181 -2.045 4.299 161 1HB LEU 20 2HB LEU 20 -0.493 -4.045 2.083 162 2HB LEU 20 1HB LEU 20 -0.924 -2.333 2.106 163 HG LEU 20 HG LEU 20 1.875 -3.450 2.028 164 1HD1 LEU 20 2HD1 LEU 20 0.001 -3.011 -0.034 165 2HD1 LEU 20 1HD1 LEU 20 1.189 -1.712 -0.144 166 3HD1 LEU 20 3HD1 LEU 20 1.715 -3.394 -0.203 167 1HD2 LEU 20 3HD2 LEU 20 0.986 -1.015 3.052 168 2HD2 LEU 20 2HD2 LEU 20 2.636 -1.385 2.548 169 3HD2 LEU 20 1HD2 LEU 20 1.517 -0.625 1.416 170 H LYS 21 H LYS 21 0.183 -5.522 4.147 171 HA LYS 21 HA LYS 21 -2.523 -6.272 4.694 172 1HB LYS 21 2HB LYS 21 -0.971 -7.964 3.990 173 2HB LYS 21 1HB LYS 21 0.136 -7.585 5.316 174 1HG LYS 21 2HG LYS 21 -1.061 -8.808 6.819 175 2HG LYS 21 1HG LYS 21 -2.608 -8.270 6.162 176 1HD LYS 21 2HD LYS 21 -2.766 -10.039 4.730 177 2HD LYS 21 1HD LYS 21 -1.035 -10.047 4.391 178 1HE LYS 21 2HE LYS 21 -1.879 -12.067 5.673 179 2HE LYS 21 1HE LYS 21 -0.553 -11.197 6.446 180 1HZ LYS 21 2HZ LYS 21 -3.158 -10.197 7.142 181 2HZ LYS 21 1HZ LYS 21 -2.907 -11.808 7.618 182 3HZ LYS 21 3HZ LYS 21 -1.845 -10.594 8.143 183 H LYS 22 H LYS 22 -0.042 -4.859 6.634 184 HA LYS 22 HA LYS 22 -1.292 -5.608 9.202 185 1HB LYS 22 2HB LYS 22 0.796 -3.478 9.065 186 2HB LYS 22 1HB LYS 22 0.647 -4.831 10.190 187 1HG LYS 22 2HG LYS 22 1.226 -6.328 8.201 188 2HG LYS 22 1HG LYS 22 1.661 -4.837 7.370 189 1HD LYS 22 2HD LYS 22 3.313 -4.305 9.080 190 2HD LYS 22 1HD LYS 22 2.829 -5.714 10.024 191 1HE LYS 22 2HE LYS 22 3.368 -6.775 7.513 192 2HE LYS 22 1HE LYS 22 4.623 -5.553 7.721 193 1HZ LYS 22 1HZ LYS 22 4.893 -6.570 10.033 194 2HZ LYS 22 3HZ LYS 22 4.032 -7.895 9.417 195 3HZ LYS 22 2HZ LYS 22 5.507 -7.439 8.709 196 H GLU 23 H GLU 23 -0.509 -2.534 7.563 197 HA GLU 23 HA GLU 23 -2.107 -0.905 9.280 198 1HB GLU 23 2HB GLU 23 -2.228 0.522 6.986 199 2HB GLU 23 1HB GLU 23 -0.820 0.521 8.041 200 1HG GLU 23 2HG GLU 23 0.420 -0.783 6.616 201 2HG GLU 23 1HG GLU 23 -0.990 -1.650 6.005 202 H LEU 24 H LEU 24 -2.834 -2.016 6.034 203 HA LEU 24 HA LEU 24 -5.591 -1.265 6.063 204 1HB LEU 24 2HB LEU 24 -4.431 -3.558 4.467 205 2HB LEU 24 1HB LEU 24 -5.771 -2.499 4.031 206 HG LEU 24 HG LEU 24 -3.060 -1.306 4.519 207 1HD1 LEU 24 2HD1 LEU 24 -3.960 -2.846 2.094 208 2HD1 LEU 24 1HD1 LEU 24 -2.750 -1.567 1.981 209 3HD1 LEU 24 3HD1 LEU 24 -2.443 -2.984 2.987 210 1HD2 LEU 24 1HD2 LEU 24 -5.425 -0.176 4.032 211 2HD2 LEU 24 3HD2 LEU 24 -3.925 0.501 3.406 212 3HD2 LEU 24 2HD2 LEU 24 -4.946 -0.492 2.364 213 H ALA 25 H ALA 25 -3.831 -3.957 7.351 214 HA ALA 25 HA ALA 25 -4.553 -5.713 8.734 215 1HB ALA 25 3HB ALA 25 -6.470 -3.643 9.055 216 2HB ALA 25 2HB ALA 25 -7.368 -5.152 8.890 217 3HB ALA 25 1HB ALA 25 -6.144 -4.987 10.149 218 H LEU 26 H LEU 26 -4.339 -6.308 6.096 219 HA LEU 26 HA LEU 26 -6.805 -7.386 4.989 220 1HB LEU 26 2HB LEU 26 -3.982 -8.132 4.179 221 2HB LEU 26 1HB LEU 26 -5.440 -8.174 3.188 222 HG LEU 26 HG LEU 26 -4.282 -5.638 4.368 223 1HD1 LEU 26 3HD1 LEU 26 -3.199 -7.113 2.304 224 2HD1 LEU 26 2HD1 LEU 26 -4.256 -5.987 1.456 225 3HD1 LEU 26 1HD1 LEU 26 -2.994 -5.376 2.524 226 1HD2 LEU 26 3HD2 LEU 26 -6.826 -6.280 3.291 227 2HD2 LEU 26 2HD2 LEU 26 -6.197 -4.675 3.672 228 3HD2 LEU 26 1HD2 LEU 26 -5.981 -5.346 2.056 229 HA PRO 27 HA PRO 27 -6.745 -11.353 6.850 230 1HB PRO 27 2HB PRO 27 -7.696 -12.917 4.809 231 2HB PRO 27 1HB PRO 27 -8.705 -11.772 5.715 232 1HG PRO 27 2HG PRO 27 -7.637 -11.548 2.947 233 2HG PRO 27 1HG PRO 27 -9.064 -10.779 3.661 234 1HD PRO 27 2HD PRO 27 -6.531 -9.570 3.204 235 2HD PRO 27 1HD PRO 27 -7.877 -8.877 4.134 236 H GLU 28 H GLU 28 -6.333 -13.857 5.787 237 HA GLU 28 HA GLU 28 -3.423 -13.931 5.528 238 1HB GLU 28 2HB GLU 28 -4.524 -15.650 6.848 239 2HB GLU 28 1HB GLU 28 -5.536 -16.105 5.473 240 1HG GLU 28 2HG GLU 28 -3.667 -16.955 4.255 241 2HG GLU 28 1HG GLU 28 -2.515 -16.220 5.369 242 H TYR 29 H TYR 29 -6.145 -15.053 3.489 243 HA TYR 29 HA TYR 29 -4.578 -15.861 1.280 244 1HB TYR 29 2HB TYR 29 -6.633 -15.655 -0.047 245 2HB TYR 29 1HB TYR 29 -6.973 -16.402 1.518 246 HD1 TYR 29 HD1 TYR 29 -6.836 -13.006 -0.105 247 HD2 TYR 29 HD2 TYR 29 -8.689 -15.546 2.830 248 HE1 TYR 29 HE1 TYR 29 -8.502 -11.234 0.380 249 HE2 TYR 29 HE2 TYR 29 -10.350 -13.768 3.316 250 HH TYR 29 HH TYR 29 -11.268 -11.823 2.445 251 H TYR 30 H TYR 30 -5.149 -12.726 2.456 252 HA TYR 30 HA TYR 30 -5.309 -10.970 0.387 253 1HB TYR 30 2HB TYR 30 -4.850 -10.072 2.550 254 2HB TYR 30 1HB TYR 30 -3.323 -10.944 2.668 255 HD1 TYR 30 HD1 TYR 30 -4.962 -8.664 0.162 256 HD2 TYR 30 HD2 TYR 30 -1.436 -9.609 2.428 257 HE1 TYR 30 HE1 TYR 30 -3.785 -6.733 -0.866 258 HE2 TYR 30 HE2 TYR 30 -0.257 -7.687 1.395 259 HH TYR 30 HH TYR 30 -0.350 -6.211 -0.377 260 H GLY 31 H GLY 31 -4.123 -10.382 -1.389 261 1HA GLY 31 2HA GLY 31 -1.931 -12.192 -2.163 262 2HA GLY 31 1HA GLY 31 -2.696 -10.986 -3.204 263 H GLU 32 H GLU 32 -0.759 -10.024 -3.858 264 HA GLU 32 HA GLU 32 0.385 -8.138 -1.920 265 1HB GLU 32 2HB GLU 32 2.741 -8.909 -2.564 266 2HB GLU 32 1HB GLU 32 1.854 -9.971 -1.471 267 1HG GLU 32 2HG GLU 32 1.415 -11.548 -3.148 268 2HG GLU 32 1HG GLU 32 1.683 -10.384 -4.446 269 H ASN 33 H ASN 33 -1.135 -7.402 -3.983 270 HA ASN 33 HA ASN 33 0.705 -5.917 -5.673 271 1HB ASN 33 2HB ASN 33 -0.559 -6.939 -7.779 272 2HB ASN 33 1HB ASN 33 0.879 -7.720 -7.123 273 1HD2 ASN 33 2HD2 ASN 33 -2.521 -9.435 -5.642 274 2HD2 ASN 33 1HD2 ASN 33 -2.240 -7.774 -5.433 275 H LEU 34 H LEU 34 -0.986 -5.146 -7.691 276 HA LEU 34 HA LEU 34 -2.819 -3.414 -6.261 277 1HB LEU 34 2HB LEU 34 -3.524 -2.860 -8.727 278 2HB LEU 34 1HB LEU 34 -1.934 -2.368 -8.149 279 HG LEU 34 HG LEU 34 -2.026 -5.097 -9.259 280 1HD1 LEU 34 1HD1 LEU 34 -3.611 -3.528 -10.676 281 2HD1 LEU 34 3HD1 LEU 34 -2.086 -2.862 -11.260 282 3HD1 LEU 34 2HD1 LEU 34 -2.446 -4.573 -11.490 283 1HD2 LEU 34 3HD2 LEU 34 -0.256 -2.727 -9.110 284 2HD2 LEU 34 2HD2 LEU 34 0.150 -4.439 -8.997 285 3HD2 LEU 34 1HD2 LEU 34 -0.094 -3.693 -10.576 286 H ASP 35 H ASP 35 -3.148 -6.599 -7.413 287 HA ASP 35 HA ASP 35 -5.978 -6.350 -8.105 288 1HB ASP 35 2HB ASP 35 -5.495 -9.038 -7.581 289 2HB ASP 35 1HB ASP 35 -5.518 -8.269 -9.161 290 H ALA 36 H ALA 36 -4.214 -8.010 -5.451 291 HA ALA 36 HA ALA 36 -6.664 -8.461 -3.980 292 1HB ALA 36 3HB ALA 36 -4.127 -9.498 -3.836 293 2HB ALA 36 2HB ALA 36 -4.173 -8.450 -2.418 294 3HB ALA 36 1HB ALA 36 -5.374 -9.732 -2.608 295 H LEU 37 H LEU 37 -4.121 -6.064 -3.880 296 HA LEU 37 HA LEU 37 -5.010 -4.714 -1.501 297 1HB LEU 37 2HB LEU 37 -2.775 -4.358 -2.535 298 2HB LEU 37 1HB LEU 37 -3.565 -3.560 -3.894 299 HG LEU 37 HG LEU 37 -4.644 -2.338 -1.621 300 1HD1 LEU 37 3HD1 LEU 37 -1.718 -2.975 -1.320 301 2HD1 LEU 37 2HD1 LEU 37 -2.384 -1.489 -0.641 302 3HD1 LEU 37 1HD1 LEU 37 -2.998 -3.055 -0.108 303 1HD2 LEU 37 3HD2 LEU 37 -2.698 -1.625 -3.780 304 2HD2 LEU 37 2HD2 LEU 37 -4.300 -0.968 -3.455 305 3HD2 LEU 37 1HD2 LEU 37 -2.928 -0.479 -2.455 306 H TRP 38 H TRP 38 -5.476 -3.941 -4.954 307 HA TRP 38 HA TRP 38 -7.335 -1.828 -4.599 308 1HB TRP 38 2HB TRP 38 -6.302 -2.383 -6.771 309 2HB TRP 38 1HB TRP 38 -7.122 -3.933 -6.766 310 HD1 TRP 38 HD1 TRP 38 -9.017 -3.987 -8.308 311 HE1 TRP 38 HE1 TRP 38 -10.828 -2.365 -9.160 312 HE3 TRP 38 HE3 TRP 38 -7.709 0.242 -5.744 313 HZ2 TRP 38 HZ2 TRP 38 -11.599 0.359 -8.821 314 HZ3 TRP 38 HZ3 TRP 38 -8.978 2.334 -6.055 315 HH2 TRP 38 HH2 TRP 38 -10.930 2.399 -7.580 316 H ASP 39 H ASP 39 -7.742 -5.306 -4.800 317 HA ASP 39 HA ASP 39 -10.594 -5.351 -4.644 318 1HB ASP 39 2HB ASP 39 -8.408 -7.277 -4.360 319 2HB ASP 39 1HB ASP 39 -9.775 -7.631 -3.298 320 H ALA 40 H ALA 40 -8.105 -4.949 -2.246 321 HA ALA 40 HA ALA 40 -9.957 -5.285 0.010 322 1HB ALA 40 1HB ALA 40 -7.495 -5.828 0.152 323 2HB ALA 40 3HB ALA 40 -7.172 -4.096 0.060 324 3HB ALA 40 2HB ALA 40 -8.081 -4.753 1.423 325 H LEU 41 H LEU 41 -7.835 -2.535 -0.776 326 HA LEU 41 HA LEU 41 -9.044 -0.510 0.594 327 1HB LEU 41 2HB LEU 41 -7.938 -0.465 -2.211 328 2HB LEU 41 1HB LEU 41 -8.455 1.004 -1.387 329 HG LEU 41 HG LEU 41 -6.576 -0.880 -0.005 330 1HD1 LEU 41 3HD1 LEU 41 -5.798 1.229 -2.051 331 2HD1 LEU 41 2HD1 LEU 41 -4.668 0.418 -0.963 332 3HD1 LEU 41 1HD1 LEU 41 -5.534 -0.508 -2.191 333 1HD2 LEU 41 1HD2 LEU 41 -7.795 1.442 0.745 334 2HD2 LEU 41 3HD2 LEU 41 -6.293 0.835 1.438 335 3HD2 LEU 41 2HD2 LEU 41 -6.247 2.041 0.150 336 H THR 42 H THR 42 -10.060 -1.616 -2.584 337 HA THR 42 HA THR 42 -12.476 0.042 -2.492 338 HB THR 42 HB THR 42 -12.865 -0.648 -4.697 339 HG1 THR 42 HG1 THR 42 -12.538 -2.635 -5.352 340 1HG2 THR 42 3HG2 THR 42 -10.198 -0.045 -3.930 341 2HG2 THR 42 2HG2 THR 42 -10.110 -1.284 -5.178 342 3HG2 THR 42 1HG2 THR 42 -10.958 0.226 -5.498 343 H GLY 43 H GLY 43 -12.435 -1.698 -0.261 344 1HA GLY 43 2HA GLY 43 -14.864 -2.662 0.145 345 2HA GLY 43 1HA GLY 43 -14.304 -3.886 -0.995 346 H TRP 44 H TRP 44 -12.315 -2.366 1.582 347 HA TRP 44 HA TRP 44 -12.628 -4.661 3.349 348 1HB TRP 44 2HB TRP 44 -11.176 -5.769 1.756 349 2HB TRP 44 1HB TRP 44 -10.073 -4.391 1.744 350 HD1 TRP 44 HD1 TRP 44 -8.894 -3.810 4.183 351 HE1 TRP 44 HE1 TRP 44 -8.073 -5.431 6.012 352 HE3 TRP 44 HE3 TRP 44 -11.453 -8.015 2.848 353 HZ2 TRP 44 HZ2 TRP 44 -8.455 -8.156 6.805 354 HZ3 TRP 44 HZ3 TRP 44 -11.211 -10.108 4.153 355 HH2 TRP 44 HH2 TRP 44 -9.714 -10.184 6.128 356 H VAL 45 H VAL 45 -10.428 -2.065 2.377 357 HA VAL 45 HA VAL 45 -9.483 -1.585 5.068 358 HB VAL 45 HB VAL 45 -9.165 -0.388 2.372 359 1HG1 VAL 45 2HG1 VAL 45 -8.533 1.149 4.895 360 2HG1 VAL 45 1HG1 VAL 45 -8.009 1.591 3.271 361 3HG1 VAL 45 3HG1 VAL 45 -9.726 1.593 3.673 362 1HG2 VAL 45 2HG2 VAL 45 -7.666 -2.115 3.458 363 2HG2 VAL 45 1HG2 VAL 45 -6.842 -0.674 2.860 364 3HG2 VAL 45 3HG2 VAL 45 -7.165 -0.852 4.585 365 H GLU 46 H GLU 46 -9.803 0.585 6.133 366 HA GLU 46 HA GLU 46 -12.645 1.459 5.835 367 1HB GLU 46 2HB GLU 46 -10.936 0.892 8.159 368 2HB GLU 46 1HB GLU 46 -11.782 2.435 8.271 369 1HG GLU 46 2HG GLU 46 -13.845 1.450 8.389 370 2HG GLU 46 1HG GLU 46 -13.391 0.132 7.308 371 H TYR 47 H TYR 47 -12.939 3.503 5.112 372 HA TYR 47 HA TYR 47 -10.572 5.310 5.049 373 1HB TYR 47 2HB TYR 47 -13.169 5.421 3.486 374 2HB TYR 47 1HB TYR 47 -11.774 6.475 3.242 375 HD1 TYR 47 HD2 TYR 47 -9.510 4.577 3.548 376 HD2 TYR 47 HD1 TYR 47 -13.283 4.111 1.531 377 HE1 TYR 47 HE2 TYR 47 -8.496 2.881 2.040 378 HE2 TYR 47 HE1 TYR 47 -12.265 2.417 0.034 379 HH TYR 47 HH TYR 47 -10.134 1.728 -0.765 380 HA PRO 48 HA PRO 48 -10.769 7.616 4.187 381 1HB PRO 48 2HB PRO 48 -9.516 9.659 5.533 382 2HB PRO 48 1HB PRO 48 -11.032 9.849 4.631 383 1HG PRO 48 2HG PRO 48 -10.608 9.679 7.587 384 2HG PRO 48 1HG PRO 48 -11.872 10.528 6.680 385 1HD PRO 48 2HD PRO 48 -12.211 8.071 7.989 386 2HD PRO 48 1HD PRO 48 -13.274 8.705 6.711 387 H LEU 49 H LEU 49 -8.680 6.943 3.839 388 HA LEU 49 HA LEU 49 -7.198 5.888 6.212 389 1HB LEU 49 2HB LEU 49 -7.648 3.999 4.912 390 2HB LEU 49 1HB LEU 49 -7.563 4.899 3.398 391 HG LEU 49 HG LEU 49 -5.068 5.172 3.841 392 1HD1 LEU 49 1HD1 LEU 49 -5.818 3.230 6.029 393 2HD1 LEU 49 3HD1 LEU 49 -4.184 3.300 5.372 394 3HD1 LEU 49 2HD1 LEU 49 -4.876 4.714 6.166 395 1HD2 LEU 49 1HD2 LEU 49 -6.542 3.049 2.739 396 2HD2 LEU 49 3HD2 LEU 49 -4.857 3.470 2.411 397 3HD2 LEU 49 2HD2 LEU 49 -5.247 2.300 3.676 398 H VAL 50 H VAL 50 -5.079 6.543 6.481 399 HA VAL 50 HA VAL 50 -4.098 8.605 4.569 400 HB VAL 50 HB VAL 50 -4.003 8.267 7.471 401 1HG1 VAL 50 3HG1 VAL 50 -1.416 8.608 5.975 402 2HG1 VAL 50 2HG1 VAL 50 -1.653 9.425 7.519 403 3HG1 VAL 50 1HG1 VAL 50 -1.744 7.667 7.430 404 1HG2 VAL 50 1HG2 VAL 50 -4.731 10.216 5.837 405 2HG2 VAL 50 3HG2 VAL 50 -4.056 10.581 7.426 406 3HG2 VAL 50 2HG2 VAL 50 -3.035 10.680 5.990 407 H LEU 51 H LEU 51 -2.963 7.505 2.971 408 HA LEU 51 HA LEU 51 -1.311 5.173 3.685 409 1HB LEU 51 2HB LEU 51 -2.548 5.348 1.490 410 2HB LEU 51 1HB LEU 51 -1.439 6.647 1.038 411 HG LEU 51 HG LEU 51 0.452 4.954 1.561 412 1HD1 LEU 51 2HD1 LEU 51 -1.991 3.225 1.586 413 2HD1 LEU 51 1HD1 LEU 51 -0.467 2.579 0.958 414 3HD1 LEU 51 3HD1 LEU 51 -0.564 3.155 2.629 415 1HD2 LEU 51 3HD2 LEU 51 -1.438 4.830 -0.763 416 2HD2 LEU 51 2HD2 LEU 51 0.192 5.511 -0.693 417 3HD2 LEU 51 1HD2 LEU 51 -0.038 3.761 -0.693 418 H GLU 52 H GLU 52 -0.060 6.660 5.237 419 HA GLU 52 HA GLU 52 1.711 8.666 4.189 420 1HB GLU 52 2HB GLU 52 1.293 8.668 6.551 421 2HB GLU 52 1HB GLU 52 1.775 6.977 6.701 422 1HG GLU 52 2HG GLU 52 3.923 7.573 6.995 423 2HG GLU 52 1HG GLU 52 3.910 8.476 5.480 424 H TRP 53 H TRP 53 2.598 7.572 2.269 425 HA TRP 53 HA TRP 53 4.161 5.143 2.655 426 1HB TRP 53 2HB TRP 53 2.928 5.981 0.498 427 2HB TRP 53 1HB TRP 53 4.424 6.884 0.225 428 HD1 TRP 53 HD1 TRP 53 6.715 5.156 0.773 429 HE1 TRP 53 HE1 TRP 53 7.091 2.823 -0.254 430 HE3 TRP 53 HE3 TRP 53 1.935 4.012 -0.591 431 HZ2 TRP 53 HZ2 TRP 53 5.566 0.760 -1.483 432 HZ3 TRP 53 HZ3 TRP 53 1.424 1.858 -1.688 433 HH2 TRP 53 HH2 TRP 53 3.237 0.218 -2.130 434 H ARG 54 H ARG 54 6.295 5.078 3.225 435 HA ARG 54 HA ARG 54 7.713 7.413 4.035 436 1HB ARG 54 2HB ARG 54 8.409 4.542 3.589 437 2HB ARG 54 1HB ARG 54 9.738 5.694 3.710 438 1HG ARG 54 2HG ARG 54 7.516 5.360 5.744 439 2HG ARG 54 1HG ARG 54 9.169 4.771 5.926 440 1HD ARG 54 2HD ARG 54 9.382 7.498 5.209 441 2HD ARG 54 1HD ARG 54 8.128 7.412 6.446 442 HE ARG 54 HE ARG 54 9.772 6.438 7.969 443 1HH1 ARG 54 2HH1 ARG 54 11.343 5.607 5.298 444 2HH1 ARG 54 1HH1 ARG 54 12.820 6.460 5.601 445 1HH2 ARG 54 1HH2 ARG 54 11.510 8.345 8.199 446 2HH2 ARG 54 2HH2 ARG 54 12.915 8.010 7.243 447 H GLN 55 H GLN 55 10.249 7.274 2.918 448 HA GLN 55 HA GLN 55 10.240 8.958 0.757 449 1HB GLN 55 2HB GLN 55 12.138 6.714 1.436 450 2HB GLN 55 1HB GLN 55 12.429 7.776 0.058 451 1HG GLN 55 2HG GLN 55 11.719 9.206 2.531 452 2HG GLN 55 1HG GLN 55 13.231 8.303 2.637 453 1HE2 GLN 55 2HE2 GLN 55 13.118 10.964 -0.491 454 2HE2 GLN 55 1HE2 GLN 55 11.814 9.906 -0.250 455 H PHE 56 H PHE 56 9.503 5.534 0.676 456 HA PHE 56 HA PHE 56 8.385 4.338 -1.023 457 1HB PHE 56 2HB PHE 56 7.440 6.600 -1.701 458 2HB PHE 56 1HB PHE 56 8.794 6.738 -2.821 459 HD1 PHE 56 HD2 PHE 56 5.777 4.752 -1.980 460 HD2 PHE 56 HD1 PHE 56 8.908 5.449 -4.836 461 HE1 PHE 56 HE2 PHE 56 4.584 3.350 -3.632 462 HE2 PHE 56 HE1 PHE 56 7.717 4.045 -6.485 463 HZ PHE 56 HZ PHE 56 5.555 2.992 -5.886 464 H GLU 57 H GLU 57 10.618 6.350 -2.956 465 HA GLU 57 HA GLU 57 11.629 4.436 -4.644 466 1HB GLU 57 2HB GLU 57 13.080 6.692 -3.251 467 2HB GLU 57 1HB GLU 57 13.852 5.704 -4.491 468 1HG GLU 57 2HG GLU 57 12.469 6.497 -6.182 469 2HG GLU 57 1HG GLU 57 11.163 6.900 -5.065 470 H GLN 58 H GLN 58 12.300 4.717 -1.224 471 HA GLN 58 HA GLN 58 14.636 3.145 -1.022 472 1HB GLN 58 2HB GLN 58 13.368 2.379 1.234 473 2HB GLN 58 1HB GLN 58 14.139 3.953 1.058 474 1HG GLN 58 2HG GLN 58 12.081 5.040 0.627 475 2HG GLN 58 1HG GLN 58 11.255 3.525 0.283 476 1HE2 GLN 58 2HE2 GLN 58 12.247 3.583 4.218 477 2HE2 GLN 58 1HE2 GLN 58 13.442 3.558 3.012 478 H SER 59 H SER 59 11.281 1.917 -0.577 479 HA SER 59 HA SER 59 12.288 -0.818 -1.022 480 1HB SER 59 2HB SER 59 10.067 -1.540 -0.355 481 2HB SER 59 1HB SER 59 10.619 -0.304 0.778 482 HG SER 59 HG SER 59 9.485 1.174 -0.799 483 H LYS 60 H LYS 60 11.340 1.655 -2.991 484 HA LYS 60 HA LYS 60 9.706 0.105 -4.874 485 1HB LYS 60 2HB LYS 60 9.468 2.577 -4.488 486 2HB LYS 60 1HB LYS 60 11.033 2.786 -5.283 487 1HG LYS 60 2HG LYS 60 9.713 1.164 -7.062 488 2HG LYS 60 1HG LYS 60 8.401 2.175 -6.457 489 1HD LYS 60 2HD LYS 60 9.826 4.192 -6.923 490 2HD LYS 60 1HD LYS 60 11.002 3.122 -7.687 491 1HE LYS 60 2HE LYS 60 8.737 2.310 -8.938 492 2HE LYS 60 1HE LYS 60 8.344 4.006 -8.655 493 1HZ LYS 60 2HZ LYS 60 10.749 4.361 -9.543 494 2HZ LYS 60 1HZ LYS 60 10.506 2.842 -10.263 495 3HZ LYS 60 3HZ LYS 60 9.464 4.128 -10.630 496 H GLN 61 H GLN 61 13.100 0.801 -4.414 497 HA GLN 61 HA GLN 61 13.846 0.253 -7.181 498 1HB GLN 61 2HB GLN 61 15.171 1.742 -5.676 499 2HB GLN 61 1HB GLN 61 15.609 0.321 -4.728 500 1HG GLN 61 2HG GLN 61 16.901 -0.594 -6.452 501 2HG GLN 61 1HG GLN 61 16.074 0.340 -7.699 502 1HE2 GLN 61 2HE2 GLN 61 18.622 2.551 -5.347 503 2HE2 GLN 61 1HE2 GLN 61 17.546 1.464 -4.610 504 H LEU 62 H LEU 62 14.771 -1.385 -4.219 505 HA LEU 62 HA LEU 62 15.844 -3.708 -5.153 506 1HB LEU 62 2HB LEU 62 14.171 -4.716 -3.157 507 2HB LEU 62 1HB LEU 62 15.811 -4.105 -2.938 508 HG LEU 62 HG LEU 62 14.947 -1.859 -2.508 509 1HD1 LEU 62 2HD1 LEU 62 12.553 -3.031 -3.670 510 2HD1 LEU 62 1HD1 LEU 62 12.200 -2.244 -2.139 511 3HD1 LEU 62 3HD1 LEU 62 12.955 -1.327 -3.445 512 1HD2 LEU 62 1HD2 LEU 62 15.108 -3.460 -0.618 513 2HD2 LEU 62 3HD2 LEU 62 13.805 -2.295 -0.388 514 3HD2 LEU 62 2HD2 LEU 62 13.436 -3.941 -0.905 515 H THR 63 H THR 63 12.506 -2.825 -5.454 516 HA THR 63 HA THR 63 11.933 -5.489 -6.668 517 HB THR 63 HB THR 63 10.512 -4.632 -4.707 518 HG1 THR 63 HG1 THR 63 8.523 -5.075 -6.128 519 1HG2 THR 63 1HG2 THR 63 10.369 -2.367 -6.367 520 2HG2 THR 63 3HG2 THR 63 8.764 -3.096 -6.418 521 3HG2 THR 63 2HG2 THR 63 9.479 -2.645 -4.869 522 H GLU 64 H GLU 64 9.482 -4.136 -7.895 523 HA GLU 64 HA GLU 64 10.469 -2.148 -9.743 524 1HB GLU 64 2HB GLU 64 10.243 -3.620 -11.785 525 2HB GLU 64 1HB GLU 64 11.634 -4.007 -10.772 526 1HG GLU 64 2HG GLU 64 9.673 -5.562 -9.642 527 2HG GLU 64 1HG GLU 64 9.228 -5.609 -11.348 528 H ASN 65 H ASN 65 8.555 -1.044 -9.361 529 HA ASN 65 HA ASN 65 6.314 -0.494 -9.891 530 1HB ASN 65 2HB ASN 65 5.896 -3.333 -10.820 531 2HB ASN 65 1HB ASN 65 5.037 -1.876 -11.323 532 1HD2 ASN 65 2HD2 ASN 65 8.153 -0.781 -13.123 533 2HD2 ASN 65 1HD2 ASN 65 7.277 -0.162 -11.807 534 H GLY 66 H GLY 66 7.482 -2.810 -7.798 535 1HA GLY 66 2HA GLY 66 5.119 -3.978 -6.721 536 2HA GLY 66 1HA GLY 66 6.626 -3.743 -5.828 537 H ALA 67 H ALA 67 7.000 -1.304 -5.237 538 HA ALA 67 HA ALA 67 4.848 -0.495 -3.537 539 1HB ALA 67 2HB ALA 67 7.209 1.124 -4.537 540 2HB ALA 67 1HB ALA 67 6.174 1.556 -3.176 541 3HB ALA 67 3HB ALA 67 7.192 0.119 -3.088 542 H GLU 68 H GLU 68 5.857 0.539 -6.770 543 HA GLU 68 HA GLU 68 4.078 2.754 -6.976 544 1HB GLU 68 2HB GLU 68 5.712 1.127 -8.841 545 2HB GLU 68 1HB GLU 68 4.360 2.008 -9.553 546 1HG GLU 68 2HG GLU 68 6.067 3.499 -7.620 547 2HG GLU 68 1HG GLU 68 6.774 3.137 -9.195 548 H SER 69 H SER 69 3.480 -0.607 -6.946 549 HA SER 69 HA SER 69 1.015 -0.365 -8.553 550 1HB SER 69 2HB SER 69 2.568 -2.621 -7.357 551 2HB SER 69 1HB SER 69 0.842 -2.864 -7.608 552 HG SER 69 HG SER 69 2.011 -3.458 -9.455 553 H VAL 70 H VAL 70 1.734 -1.509 -5.202 554 HA VAL 70 HA VAL 70 -0.910 -1.504 -4.286 555 HB VAL 70 HB VAL 70 1.607 -0.639 -2.823 556 1HG1 VAL 70 3HG1 VAL 70 -1.119 -0.260 -2.088 557 2HG1 VAL 70 2HG1 VAL 70 -0.493 -1.563 -1.089 558 3HG1 VAL 70 1HG1 VAL 70 0.311 0.005 -1.091 559 1HG2 VAL 70 2HG2 VAL 70 0.915 -3.136 -3.718 560 2HG2 VAL 70 1HG2 VAL 70 1.903 -2.847 -2.285 561 3HG2 VAL 70 3HG2 VAL 70 0.172 -3.138 -2.118 562 H LEU 71 H LEU 71 1.303 1.025 -5.054 563 HA LEU 71 HA LEU 71 -0.276 3.067 -3.784 564 1HB LEU 71 2HB LEU 71 2.272 3.074 -4.239 565 2HB LEU 71 1HB LEU 71 1.828 3.571 -5.870 566 HG LEU 71 HG LEU 71 0.971 5.610 -5.155 567 1HD1 LEU 71 1HD1 LEU 71 0.534 4.205 -2.535 568 2HD1 LEU 71 3HD1 LEU 71 0.590 5.971 -2.586 569 3HD1 LEU 71 2HD1 LEU 71 -0.632 5.099 -3.525 570 1HD2 LEU 71 1HD2 LEU 71 3.488 4.869 -4.301 571 2HD2 LEU 71 3HD2 LEU 71 2.874 6.519 -4.352 572 3HD2 LEU 71 2HD2 LEU 71 2.777 5.591 -2.857 573 H GLN 72 H GLN 72 0.294 2.055 -7.180 574 HA GLN 72 HA GLN 72 -1.315 4.039 -8.381 575 1HB GLN 72 2HB GLN 72 -0.671 1.197 -9.079 576 2HB GLN 72 1HB GLN 72 -1.924 2.031 -9.999 577 1HG GLN 72 2HG GLN 72 0.167 3.885 -9.806 578 2HG GLN 72 1HG GLN 72 0.962 2.345 -10.134 579 1HE2 GLN 72 2HE2 GLN 72 -0.816 1.918 -13.294 580 2HE2 GLN 72 1HE2 GLN 72 -0.361 1.008 -11.936 581 H VAL 73 H VAL 73 -2.155 1.237 -6.543 582 HA VAL 73 HA VAL 73 -5.013 1.383 -7.157 583 HB VAL 73 HB VAL 73 -3.494 -0.214 -5.080 584 1HG1 VAL 73 1HG1 VAL 73 -5.986 0.261 -4.692 585 2HG1 VAL 73 3HG1 VAL 73 -6.268 -0.702 -6.139 586 3HG1 VAL 73 2HG1 VAL 73 -5.496 -1.434 -4.735 587 1HG2 VAL 73 2HG2 VAL 73 -3.629 -0.406 -7.887 588 2HG2 VAL 73 1HG2 VAL 73 -3.029 -1.633 -6.770 589 3HG2 VAL 73 3HG2 VAL 73 -4.721 -1.656 -7.280 590 H PHE 74 H PHE 74 -3.004 2.070 -4.271 591 HA PHE 74 HA PHE 74 -4.992 2.854 -2.518 592 1HB PHE 74 2HB PHE 74 -2.124 3.474 -2.931 593 2HB PHE 74 1HB PHE 74 -3.025 4.645 -1.975 594 HD1 PHE 74 HD1 PHE 74 -4.827 3.405 -0.328 595 HD2 PHE 74 HD2 PHE 74 -1.093 1.785 -1.694 596 HE1 PHE 74 HE1 PHE 74 -4.793 1.832 1.577 597 HE2 PHE 74 HE2 PHE 74 -1.068 0.230 0.237 598 HZ PHE 74 HZ PHE 74 -2.930 0.264 1.856 599 H ARG 75 H ARG 75 -3.168 4.830 -4.812 600 HA ARG 75 HA ARG 75 -4.748 7.197 -4.538 601 1HB ARG 75 2HB ARG 75 -2.729 6.168 -6.461 602 2HB ARG 75 1HB ARG 75 -3.807 7.432 -7.054 603 1HG ARG 75 2HG ARG 75 -3.044 8.999 -5.511 604 2HG ARG 75 1HG ARG 75 -2.517 7.764 -4.367 605 1HD ARG 75 2HD ARG 75 -0.682 9.026 -5.680 606 2HD ARG 75 1HD ARG 75 -0.572 7.268 -5.619 607 HE ARG 75 HE ARG 75 -1.977 8.444 -7.946 608 1HH1 ARG 75 1HH2 ARG 75 -0.429 5.722 -7.186 609 2HH1 ARG 75 2HH2 ARG 75 0.794 5.788 -8.410 610 1HH2 ARG 75 2HH1 ARG 75 0.137 9.084 -9.263 611 2HH2 ARG 75 1HH1 ARG 75 1.115 7.691 -9.587 612 H GLU 76 H GLU 76 -5.003 4.380 -6.769 613 HA GLU 76 HA GLU 76 -7.031 5.426 -8.455 614 1HB GLU 76 2HB GLU 76 -6.249 2.694 -7.559 615 2HB GLU 76 1HB GLU 76 -7.827 2.876 -8.320 616 1HG GLU 76 2HG GLU 76 -5.228 3.863 -9.518 617 2HG GLU 76 1HG GLU 76 -6.023 2.351 -9.956 618 H ALA 77 H ALA 77 -7.205 4.205 -5.182 619 HA ALA 77 HA ALA 77 -10.128 4.124 -5.129 620 1HB ALA 77 2HB ALA 77 -8.050 3.081 -3.545 621 2HB ALA 77 1HB ALA 77 -8.850 4.276 -2.526 622 3HB ALA 77 3HB ALA 77 -9.780 2.954 -3.225 623 H LYS 78 H LYS 78 -7.609 6.228 -3.660 624 HA LYS 78 HA LYS 78 -9.440 8.106 -2.560 625 1HB LYS 78 2HB LYS 78 -7.549 9.423 -2.165 626 2HB LYS 78 1HB LYS 78 -6.861 7.809 -2.233 627 1HG LYS 78 2HG LYS 78 -5.433 8.732 -3.746 628 2HG LYS 78 1HG LYS 78 -6.778 8.531 -4.869 629 1HD LYS 78 2HD LYS 78 -5.932 10.827 -4.985 630 2HD LYS 78 1HD LYS 78 -7.562 10.819 -4.308 631 1HE LYS 78 2HE LYS 78 -5.905 10.485 -2.089 632 2HE LYS 78 1HE LYS 78 -5.061 11.675 -3.082 633 1HZ LYS 78 1HZ LYS 78 -7.742 12.350 -3.156 634 2HZ LYS 78 3HZ LYS 78 -7.403 11.997 -1.532 635 3HZ LYS 78 2HZ LYS 78 -6.494 13.174 -2.351 636 H ALA 79 H ALA 79 -8.644 7.367 -5.782 637 HA ALA 79 HA ALA 79 -9.275 10.028 -6.875 638 1HB ALA 79 1HB ALA 79 -7.737 7.908 -7.761 639 2HB ALA 79 3HB ALA 79 -9.214 7.733 -8.715 640 3HB ALA 79 2HB ALA 79 -8.295 9.242 -8.774 641 H GLU 80 H GLU 80 -10.465 6.794 -7.705 642 HA GLU 80 HA GLU 80 -12.862 7.541 -8.889 643 1HB GLU 80 2HB GLU 80 -12.549 5.086 -7.157 644 2HB GLU 80 1HB GLU 80 -13.557 5.285 -8.591 645 1HG GLU 80 2HG GLU 80 -10.889 5.955 -9.324 646 2HG GLU 80 1HG GLU 80 -10.840 4.418 -8.460 647 H GLY 81 H GLY 81 -12.743 6.240 -5.532 648 1HA GLY 81 2HA GLY 81 -14.607 8.386 -4.704 649 2HA GLY 81 1HA GLY 81 -15.246 6.742 -4.638 650 H ALA 82 H ALA 82 -12.759 5.491 -3.832 651 HA ALA 82 HA ALA 82 -12.935 5.367 -1.106 652 1HB ALA 82 2HB ALA 82 -11.075 4.520 -3.002 653 2HB ALA 82 1HB ALA 82 -10.121 5.466 -1.855 654 3HB ALA 82 3HB ALA 82 -11.082 4.096 -1.290 655 H ASP 83 H ASP 83 -11.957 6.440 0.676 656 HA ASP 83 HA ASP 83 -11.158 9.259 0.094 657 1HB ASP 83 2HB ASP 83 -13.123 8.327 1.787 658 2HB ASP 83 1HB ASP 83 -11.760 8.530 2.887 659 H ILE 84 H ILE 84 -9.116 7.687 -0.394 660 HA ILE 84 HA ILE 84 -7.563 7.347 2.122 661 HB ILE 84 HB ILE 84 -7.119 6.294 -0.682 662 1HG1 ILE 84 2HG1 ILE 84 -7.354 4.471 1.605 663 2HG1 ILE 84 1HG1 ILE 84 -8.814 5.411 1.290 664 1HG2 ILE 84 2HG2 ILE 84 -5.041 6.872 0.782 665 2HG2 ILE 84 1HG2 ILE 84 -5.564 5.518 1.784 666 3HG2 ILE 84 3HG2 ILE 84 -5.142 5.252 0.092 667 1HD1 ILE 84 2HD1 ILE 84 -7.566 4.370 -1.148 668 2HD1 ILE 84 1HD1 ILE 84 -8.086 3.102 -0.040 669 3HD1 ILE 84 3HD1 ILE 84 -9.248 4.291 -0.625 670 H THR 85 H THR 85 -6.442 9.202 2.591 671 HA THR 85 HA THR 85 -5.470 10.970 0.476 672 HB THR 85 HB THR 85 -4.904 10.957 3.461 673 HG1 THR 85 HG1 THR 85 -6.548 12.402 3.578 674 1HG2 THR 85 3HG2 THR 85 -3.224 12.154 2.029 675 2HG2 THR 85 2HG2 THR 85 -4.534 13.172 1.430 676 3HG2 THR 85 1HG2 THR 85 -4.094 13.215 3.136 677 H ILE 86 H ILE 86 -3.833 10.099 -0.736 678 HA ILE 86 HA ILE 86 -1.846 8.329 0.460 679 HB ILE 86 HB ILE 86 -2.687 9.117 -2.230 680 1HG1 ILE 86 2HG1 ILE 86 -2.046 6.844 -2.733 681 2HG1 ILE 86 1HG1 ILE 86 -1.064 6.748 -1.274 682 1HG2 ILE 86 2HG2 ILE 86 -0.390 10.184 -2.150 683 2HG2 ILE 86 1HG2 ILE 86 0.272 8.577 -1.849 684 3HG2 ILE 86 3HG2 ILE 86 -0.567 8.916 -3.363 685 1HD1 ILE 86 2HD1 ILE 86 -3.569 7.494 -0.316 686 2HD1 ILE 86 1HD1 ILE 86 -3.940 6.346 -1.603 687 3HD1 ILE 86 3HD1 ILE 86 -2.889 5.864 -0.270 688 H ILE 87 H ILE 87 0.235 8.871 1.062 689 HA ILE 87 HA ILE 87 0.807 11.780 1.221 690 HB ILE 87 HB ILE 87 2.026 9.336 2.513 691 1HG1 ILE 87 2HG1 ILE 87 1.409 10.719 4.573 692 2HG1 ILE 87 1HG1 ILE 87 0.548 11.799 3.477 693 1HG2 ILE 87 1HG2 ILE 87 3.194 12.023 2.067 694 2HG2 ILE 87 3HG2 ILE 87 3.280 11.429 3.725 695 3HG2 ILE 87 2HG2 ILE 87 3.995 10.490 2.414 696 1HD1 ILE 87 2HD1 ILE 87 -0.196 9.111 2.847 697 2HD1 ILE 87 1HD1 ILE 87 -0.364 9.335 4.587 698 3HD1 ILE 87 3HD1 ILE 87 -1.215 10.406 3.473 699 H LEU 88 H LEU 88 2.984 9.004 0.635 700 HA LEU 88 HA LEU 88 4.632 8.698 -1.010 701 1HB LEU 88 2HB LEU 88 2.590 10.370 -2.310 702 2HB LEU 88 1HB LEU 88 4.208 10.574 -2.982 703 HG LEU 88 HG LEU 88 2.823 7.908 -2.570 704 1HD1 LEU 88 1HD1 LEU 88 2.480 9.864 -4.597 705 2HD1 LEU 88 3HD1 LEU 88 3.442 8.565 -5.303 706 3HD1 LEU 88 2HD1 LEU 88 1.870 8.208 -4.585 707 1HD2 LEU 88 2HD2 LEU 88 5.558 8.762 -3.357 708 2HD2 LEU 88 1HD2 LEU 88 5.023 7.266 -2.589 709 3HD2 LEU 88 3HD2 LEU 88 4.842 7.477 -4.331 710 H SER 89 HN SER 89 6.098 9.621 0.637 711 HA SER 89 HA SER 89 6.714 12.371 0.890 712 1HB SER 89 2HB SER 89 7.572 10.400 2.300 713 2HB SER 89 1HB SER 89 8.784 10.171 1.037 714 HG SER 89 HG SER 89 9.574 12.199 1.452 No H/Q in entry = 714 Start of MODEL 6 1 1H LYS 1 3H LYS 1 -8.571 4.684 8.906 2 2H LYS 1 2H LYS 1 -8.374 3.524 7.680 3 3H LYS 1 1H LYS 1 -9.227 3.132 9.096 4 HA LYS 1 HA LYS 1 -7.246 3.296 10.418 5 1HB LYS 1 2HB LYS 1 -7.095 1.622 7.907 6 2HB LYS 1 1HB LYS 1 -5.865 1.514 9.168 7 1HG LYS 1 2HG LYS 1 -7.873 1.208 10.791 8 2HG LYS 1 1HG LYS 1 -8.794 0.830 9.335 9 1HD LYS 1 2HD LYS 1 -6.611 -0.715 8.910 10 2HD LYS 1 1HD LYS 1 -6.650 -0.727 10.673 11 1HE LYS 1 2HE LYS 1 -8.872 -1.554 8.789 12 2HE LYS 1 1HE LYS 1 -7.991 -2.582 9.918 13 1HZ LYS 1 2HZ LYS 1 -8.963 -0.531 11.447 14 2HZ LYS 1 1HZ LYS 1 -10.240 -0.898 10.390 15 3HZ LYS 1 3HZ LYS 1 -9.580 -2.111 11.373 16 H LYS 2 H LYS 2 -4.688 3.114 9.979 17 HA LYS 2 HA LYS 2 -3.924 5.226 8.017 18 1HB LYS 2 2HB LYS 2 -3.919 6.484 10.003 19 2HB LYS 2 1HB LYS 2 -3.349 5.127 10.974 20 1HG LYS 2 2HG LYS 2 -1.135 5.323 10.147 21 2HG LYS 2 1HG LYS 2 -1.643 6.338 8.797 22 1HD LYS 2 2HD LYS 2 -2.493 7.921 10.756 23 2HD LYS 2 1HD LYS 2 -1.251 7.066 11.672 24 1HE LYS 2 2HE LYS 2 0.453 8.039 10.513 25 2HE LYS 2 1HE LYS 2 -0.418 7.964 8.980 26 1HZ LYS 2 1HZ LYS 2 -1.801 9.817 9.754 27 2HZ LYS 2 3HZ LYS 2 -0.873 9.919 11.169 28 3HZ LYS 2 2HZ LYS 2 -0.159 10.241 9.662 29 H ALA 3 H ALA 3 -2.762 3.971 6.611 30 HA ALA 3 HA ALA 3 -0.842 1.992 7.707 31 1HB ALA 3 1HB ALA 3 -2.126 2.448 5.036 32 2HB ALA 3 3HB ALA 3 -0.576 1.610 5.098 33 3HB ALA 3 2HB ALA 3 -1.970 0.953 5.957 34 H VAL 4 H VAL 4 1.384 2.190 7.332 35 HA VAL 4 HA VAL 4 2.286 4.654 5.924 36 HB VAL 4 HB VAL 4 3.240 3.708 8.647 37 1HG1 VAL 4 1HG1 VAL 4 4.451 5.394 6.592 38 2HG1 VAL 4 3HG1 VAL 4 4.259 6.246 8.123 39 3HG1 VAL 4 2HG1 VAL 4 5.166 4.734 8.063 40 1HG2 VAL 4 2HG2 VAL 4 1.118 5.449 7.837 41 2HG2 VAL 4 1HG2 VAL 4 1.672 5.098 9.474 42 3HG2 VAL 4 3HG2 VAL 4 2.383 6.435 8.570 43 H ILE 5 H ILE 5 3.756 4.096 4.417 44 HA ILE 5 HA ILE 5 4.993 1.435 4.491 45 HB ILE 5 HB ILE 5 4.927 3.683 2.470 46 1HG1 ILE 5 2HG1 ILE 5 4.043 1.275 1.411 47 2HG1 ILE 5 1HG1 ILE 5 3.433 1.272 3.063 48 1HG2 ILE 5 2HG2 ILE 5 6.634 1.233 2.614 49 2HG2 ILE 5 1HG2 ILE 5 5.966 1.696 1.047 50 3HG2 ILE 5 3HG2 ILE 5 7.003 2.817 1.930 51 1HD1 ILE 5 2HD1 ILE 5 3.111 3.820 1.612 52 2HD1 ILE 5 1HD1 ILE 5 2.159 2.467 0.995 53 3HD1 ILE 5 3HD1 ILE 5 1.988 2.975 2.674 54 H ASN 6 H ASN 6 6.955 1.134 5.396 55 HA ASN 6 HA ASN 6 8.694 3.530 5.675 56 1HB ASN 6 2HB ASN 6 9.220 1.026 7.226 57 2HB ASN 6 1HB ASN 6 9.479 2.705 7.694 58 1HD2 ASN 6 2HD2 ASN 6 6.553 2.565 9.616 59 2HD2 ASN 6 1HD2 ASN 6 8.202 2.955 9.520 60 H GLY 7 H GLY 7 9.899 3.432 3.776 61 1HA GLY 7 2HA GLY 7 10.811 0.954 2.631 62 2HA GLY 7 1HA GLY 7 11.382 2.566 2.178 63 H GLU 8 H GLU 8 11.769 2.627 5.379 64 HA GLU 8 HA GLU 8 14.616 2.011 5.169 65 1HB GLU 8 2HB GLU 8 13.681 4.004 6.433 66 2HB GLU 8 1HB GLU 8 13.092 2.859 7.640 67 1HG GLU 8 2HG GLU 8 15.185 2.433 8.451 68 2HG GLU 8 1HG GLU 8 15.935 2.547 6.859 69 H GLN 9 H GLN 9 11.819 0.322 5.992 70 HA GLN 9 HA GLN 9 13.440 -1.720 7.445 71 1HB GLN 9 2HB GLN 9 11.722 -0.555 8.877 72 2HB GLN 9 1HB GLN 9 10.480 -1.216 7.813 73 1HG GLN 9 2HG GLN 9 11.558 -3.514 8.290 74 2HG GLN 9 1HG GLN 9 12.370 -2.707 9.632 75 1HE2 GLN 9 2HE2 GLN 9 8.526 -3.799 10.052 76 2HE2 GLN 9 1HE2 GLN 9 9.484 -4.292 8.741 77 H ILE 10 H ILE 10 11.249 -1.029 4.885 78 HA ILE 10 HA ILE 10 10.314 -3.697 4.378 79 HB ILE 10 HB ILE 10 10.693 -1.341 2.512 80 1HG1 ILE 10 2HG1 ILE 10 9.033 -1.099 4.387 81 2HG1 ILE 10 1HG1 ILE 10 8.297 -1.036 2.787 82 1HG2 ILE 10 2HG2 ILE 10 9.490 -4.077 2.095 83 2HG2 ILE 10 1HG2 ILE 10 8.997 -2.694 1.117 84 3HG2 ILE 10 3HG2 ILE 10 10.675 -3.236 1.095 85 1HD1 ILE 10 3HD1 ILE 10 8.085 -3.665 3.178 86 2HD1 ILE 10 2HD1 ILE 10 8.133 -3.172 4.870 87 3HD1 ILE 10 1HD1 ILE 10 6.875 -2.547 3.805 88 H ARG 11 H ARG 11 11.851 -5.281 4.219 89 HA ARG 11 HA ARG 11 14.459 -4.863 3.008 90 1HB ARG 11 2HB ARG 11 13.393 -7.630 3.027 91 2HB ARG 11 1HB ARG 11 14.917 -7.009 3.664 92 1HG ARG 11 2HG ARG 11 13.524 -5.933 5.523 93 2HG ARG 11 1HG ARG 11 12.193 -6.947 4.957 94 1HD ARG 11 2HD ARG 11 14.841 -8.248 5.463 95 2HD ARG 11 1HD ARG 11 13.853 -7.805 6.855 96 HE ARG 11 HE ARG 11 12.355 -9.261 4.821 97 1HH1 ARG 11 2HH1 ARG 11 13.062 -9.152 8.045 98 2HH1 ARG 11 1HH1 ARG 11 13.164 -10.864 8.288 99 1HH2 ARG 11 1HH2 ARG 11 13.088 -11.617 4.904 100 2HH2 ARG 11 2HH2 ARG 11 13.178 -12.259 6.510 101 H SER 12 H SER 12 11.409 -6.304 1.982 102 HA SER 12 HA SER 12 12.175 -5.811 -0.844 103 1HB SER 12 2HB SER 12 11.874 -8.017 -1.565 104 2HB SER 12 1HB SER 12 12.692 -8.252 -0.023 105 HG SER 12 HG SER 12 10.643 -9.468 -0.506 106 H ILE 13 H ILE 13 10.205 -6.052 -2.283 107 HA ILE 13 HA ILE 13 8.038 -4.536 -1.415 108 HB ILE 13 HB ILE 13 8.357 -5.108 -3.771 109 1HG1 ILE 13 2HG1 ILE 13 6.004 -5.732 -4.326 110 2HG1 ILE 13 1HG1 ILE 13 5.744 -6.143 -2.631 111 1HG2 ILE 13 1HG2 ILE 13 8.106 -7.849 -2.661 112 2HG2 ILE 13 3HG2 ILE 13 7.341 -7.578 -4.227 113 3HG2 ILE 13 2HG2 ILE 13 9.066 -7.270 -4.024 114 1HD1 ILE 13 2HD1 ILE 13 6.451 -3.783 -2.048 115 2HD1 ILE 13 1HD1 ILE 13 6.417 -3.422 -3.774 116 3HD1 ILE 13 3HD1 ILE 13 4.935 -3.897 -2.943 117 H SER 14 H SER 14 8.726 -7.883 -0.754 118 HA SER 14 HA SER 14 6.152 -8.838 -0.076 119 1HB SER 14 2HB SER 14 8.615 -9.937 -0.020 120 2HB SER 14 1HB SER 14 8.415 -9.610 1.699 121 HG SER 14 HG SER 14 6.597 -10.862 1.717 122 H ASP 15 H ASP 15 8.566 -7.246 2.043 123 HA ASP 15 HA ASP 15 6.883 -7.161 4.340 124 1HB ASP 15 2HB ASP 15 9.446 -6.034 3.484 125 2HB ASP 15 1HB ASP 15 8.556 -4.970 4.563 126 H LEU 16 H LEU 16 6.918 -5.351 1.438 127 HA LEU 16 HA LEU 16 5.627 -2.948 2.410 128 1HB LEU 16 2HB LEU 16 6.832 -3.181 0.198 129 2HB LEU 16 1HB LEU 16 5.483 -4.153 -0.368 130 HG LEU 16 HG LEU 16 4.301 -2.303 -0.876 131 1HD1 LEU 16 2HD1 LEU 16 4.948 -1.288 1.910 132 2HD1 LEU 16 1HD1 LEU 16 3.866 -0.468 0.778 133 3HD1 LEU 16 3HD1 LEU 16 3.456 -2.072 1.391 134 1HD2 LEU 16 1HD2 LEU 16 7.021 -1.429 -0.482 135 2HD2 LEU 16 3HD2 LEU 16 5.852 -0.912 -1.697 136 3HD2 LEU 16 2HD2 LEU 16 5.898 -0.117 -0.125 137 H HIS 17 H HIS 17 4.356 -5.679 0.483 138 HA HIS 17 HA HIS 17 1.618 -5.044 0.863 139 1HB HIS 17 2HB HIS 17 2.962 -7.714 0.381 140 2HB HIS 17 1HB HIS 17 1.217 -7.448 0.273 141 HD1 HIS 17 HD1 HIS 17 0.507 -5.476 -1.500 142 HD2 HIS 17 HD2 HIS 17 4.312 -7.114 -1.958 143 HE1 HIS 17 HE1 HIS 17 1.284 -4.842 -3.826 144 H GLN 18 H GLN 18 3.925 -6.475 2.971 145 HA GLN 18 HA GLN 18 1.947 -7.664 4.766 146 1HB GLN 18 2HB GLN 18 4.914 -7.127 5.034 147 2HB GLN 18 1HB GLN 18 3.952 -7.862 6.318 148 1HG GLN 18 2HG GLN 18 3.184 -9.516 4.437 149 2HG GLN 18 1HG GLN 18 4.639 -8.965 3.607 150 1HE2 GLN 18 2HE2 GLN 18 5.034 -11.725 6.446 151 2HE2 GLN 18 1HE2 GLN 18 3.572 -11.357 5.666 152 H THR 19 H THR 19 3.679 -4.693 4.414 153 HA THR 19 HA THR 19 2.975 -3.592 6.997 154 HB THR 19 HB THR 19 4.180 -2.538 4.460 155 HG1 THR 19 HG1 THR 19 5.339 -3.507 6.270 156 1HG2 THR 19 1HG2 THR 19 2.497 -0.833 5.183 157 2HG2 THR 19 3HG2 THR 19 3.303 -0.757 6.750 158 3HG2 THR 19 2HG2 THR 19 4.159 -0.257 5.291 159 H LEU 20 H LEU 20 1.553 -3.624 3.821 160 HA LEU 20 HA LEU 20 -0.567 -1.719 4.560 161 1HB LEU 20 2HB LEU 20 -0.932 -3.542 2.227 162 2HB LEU 20 1HB LEU 20 -1.292 -1.821 2.369 163 HG LEU 20 HG LEU 20 1.490 -2.967 2.217 164 1HD1 LEU 20 1HD1 LEU 20 -0.460 -2.328 0.149 165 2HD1 LEU 20 3HD1 LEU 20 1.069 -1.468 -0.058 166 3HD1 LEU 20 2HD1 LEU 20 1.052 -3.230 0.026 167 1HD2 LEU 20 3HD2 LEU 20 0.399 -0.150 2.102 168 2HD2 LEU 20 2HD2 LEU 20 1.405 -0.833 3.379 169 3HD2 LEU 20 1HD2 LEU 20 2.079 -0.575 1.770 170 H LYS 21 H LYS 21 0.016 -5.140 4.398 171 HA LYS 21 HA LYS 21 -2.745 -5.932 4.896 172 1HB LYS 21 2HB LYS 21 -1.333 -7.551 3.828 173 2HB LYS 21 1HB LYS 21 -0.094 -7.382 5.074 174 1HG LYS 21 2HG LYS 21 -1.240 -8.685 6.580 175 2HG LYS 21 1HG LYS 21 -2.817 -8.155 5.992 176 1HD LYS 21 2HD LYS 21 -2.660 -9.590 4.058 177 2HD LYS 21 1HD LYS 21 -0.982 -9.990 4.429 178 1HE LYS 21 2HE LYS 21 -3.346 -10.648 6.212 179 2HE LYS 21 1HE LYS 21 -2.556 -11.792 5.126 180 1HZ LYS 21 3HZ LYS 21 -0.441 -10.974 6.400 181 2HZ LYS 21 2HZ LYS 21 -1.568 -10.596 7.612 182 3HZ LYS 21 1HZ LYS 21 -1.427 -12.192 7.049 183 H LYS 22 H LYS 22 -0.050 -4.880 6.786 184 HA LYS 22 HA LYS 22 -1.190 -5.931 9.297 185 1HB LYS 22 2HB LYS 22 0.859 -5.472 10.267 186 2HB LYS 22 1HB LYS 22 1.372 -5.639 8.590 187 1HG LYS 22 2HG LYS 22 1.284 -3.214 8.289 188 2HG LYS 22 1HG LYS 22 0.683 -3.008 9.932 189 1HD LYS 22 2HD LYS 22 2.972 -4.564 10.251 190 2HD LYS 22 1HD LYS 22 3.421 -3.400 9.003 191 1HE LYS 22 2HE LYS 22 3.543 -1.738 10.516 192 2HE LYS 22 1HE LYS 22 1.914 -2.087 11.094 193 1HZ LYS 22 3HZ LYS 22 4.314 -3.636 11.892 194 2HZ LYS 22 2HZ LYS 22 3.682 -2.345 12.796 195 3HZ LYS 22 1HZ LYS 22 2.756 -3.748 12.551 196 H GLU 23 H GLU 23 -0.843 -2.862 7.573 197 HA GLU 23 HA GLU 23 -1.909 -1.305 9.802 198 1HB GLU 23 2HB GLU 23 -1.427 -0.597 6.901 199 2HB GLU 23 1HB GLU 23 -1.952 0.554 8.131 200 1HG GLU 23 2HG GLU 23 0.544 -1.117 8.464 201 2HG GLU 23 1HG GLU 23 0.568 0.455 7.664 202 H LEU 24 H LEU 24 -3.094 -2.306 6.642 203 HA LEU 24 HA LEU 24 -5.776 -1.295 7.155 204 1HB LEU 24 2HB LEU 24 -5.041 -3.299 5.021 205 2HB LEU 24 1HB LEU 24 -6.306 -2.070 4.985 206 HG LEU 24 HG LEU 24 -3.406 -1.287 5.232 207 1HD1 LEU 24 2HD1 LEU 24 -4.773 -2.444 2.912 208 2HD1 LEU 24 1HD1 LEU 24 -4.054 -0.864 2.590 209 3HD1 LEU 24 3HD1 LEU 24 -3.052 -2.184 3.196 210 1HD2 LEU 24 2HD2 LEU 24 -6.017 0.016 4.777 211 2HD2 LEU 24 1HD2 LEU 24 -4.545 0.658 5.508 212 3HD2 LEU 24 3HD2 LEU 24 -4.705 0.599 3.752 213 H ALA 25 H ALA 25 -4.065 -4.289 7.639 214 HA ALA 25 HA ALA 25 -4.737 -6.152 8.920 215 1HB ALA 25 1HB ALA 25 -6.560 -4.173 9.677 216 2HB ALA 25 3HB ALA 25 -7.569 -5.530 9.177 217 3HB ALA 25 2HB ALA 25 -6.355 -5.751 10.437 218 H LEU 26 H LEU 26 -4.588 -6.463 6.243 219 HA LEU 26 HA LEU 26 -7.078 -7.348 5.042 220 1HB LEU 26 2HB LEU 26 -4.267 -8.136 4.209 221 2HB LEU 26 1HB LEU 26 -5.712 -8.076 3.201 222 HG LEU 26 HG LEU 26 -4.548 -5.647 4.575 223 1HD1 LEU 26 2HD1 LEU 26 -3.173 -6.851 2.681 224 2HD1 LEU 26 1HD1 LEU 26 -4.395 -6.151 1.620 225 3HD1 LEU 26 3HD1 LEU 26 -3.395 -5.102 2.624 226 1HD2 LEU 26 1HD2 LEU 26 -7.059 -6.167 3.410 227 2HD2 LEU 26 3HD2 LEU 26 -6.395 -4.587 3.831 228 3HD2 LEU 26 2HD2 LEU 26 -6.171 -5.233 2.205 229 HA PRO 27 HA PRO 27 -7.219 -11.438 6.586 230 1HB PRO 27 2HB PRO 27 -8.073 -12.862 4.398 231 2HB PRO 27 1HB PRO 27 -9.115 -11.764 5.325 232 1HG PRO 27 2HG PRO 27 -7.897 -11.371 2.640 233 2HG PRO 27 1HG PRO 27 -9.354 -10.636 3.326 234 1HD PRO 27 2HD PRO 27 -6.804 -9.424 3.081 235 2HD PRO 27 1HD PRO 27 -8.181 -8.786 4.002 236 H GLU 28 H GLU 28 -6.717 -13.892 5.525 237 HA GLU 28 HA GLU 28 -3.802 -13.911 5.349 238 1HB GLU 28 2HB GLU 28 -4.860 -15.658 6.633 239 2HB GLU 28 1HB GLU 28 -5.894 -16.099 5.270 240 1HG GLU 28 2HG GLU 28 -4.246 -17.287 4.241 241 2HG GLU 28 1HG GLU 28 -2.997 -16.125 4.688 242 H TYR 29 H TYR 29 -6.467 -14.958 3.213 243 HA TYR 29 HA TYR 29 -4.825 -15.807 1.065 244 1HB TYR 29 2HB TYR 29 -6.846 -15.572 -0.327 245 2HB TYR 29 1HB TYR 29 -7.216 -16.350 1.216 246 HD1 TYR 29 HD2 TYR 29 -7.059 -12.941 -0.351 247 HD2 TYR 29 HD1 TYR 29 -8.950 -15.511 2.529 248 HE1 TYR 29 HE2 TYR 29 -8.729 -11.172 0.130 249 HE2 TYR 29 HE1 TYR 29 -10.617 -13.737 3.014 250 HH TYR 29 HH TYR 29 -11.381 -11.729 2.446 251 H TYR 30 H TYR 30 -5.374 -12.656 2.213 252 HA TYR 30 HA TYR 30 -5.446 -10.960 0.054 253 1HB TYR 30 2HB TYR 30 -5.159 -10.017 2.251 254 2HB TYR 30 1HB TYR 30 -3.593 -10.806 2.446 255 HD1 TYR 30 HD1 TYR 30 -5.180 -8.794 -0.305 256 HD2 TYR 30 HD2 TYR 30 -1.845 -9.268 2.362 257 HE1 TYR 30 HE1 TYR 30 -4.068 -6.832 -1.346 258 HE2 TYR 30 HE2 TYR 30 -0.729 -7.317 1.312 259 HH TYR 30 HH TYR 30 -1.036 -5.545 -0.057 260 H GLY 31 H GLY 31 -4.201 -10.559 -1.712 261 1HA GLY 31 2HA GLY 31 -1.925 -12.330 -2.227 262 2HA GLY 31 1HA GLY 31 -2.595 -11.147 -3.356 263 H GLU 32 H GLU 32 -1.011 -9.733 -3.865 264 HA GLU 32 HA GLU 32 0.133 -7.998 -1.879 265 1HB GLU 32 2HB GLU 32 2.548 -8.755 -2.363 266 2HB GLU 32 1HB GLU 32 1.602 -9.761 -1.264 267 1HG GLU 32 2HG GLU 32 1.052 -11.290 -3.104 268 2HG GLU 32 1HG GLU 32 1.944 -10.272 -4.234 269 H ASN 33 H ASN 33 -1.233 -7.415 -4.146 270 HA ASN 33 HA ASN 33 0.757 -5.920 -5.688 271 1HB ASN 33 2HB ASN 33 -0.852 -7.094 -7.690 272 2HB ASN 33 1HB ASN 33 0.879 -7.286 -7.461 273 1HD2 ASN 33 2HD2 ASN 33 -1.560 -10.144 -5.763 274 2HD2 ASN 33 1HD2 ASN 33 -2.104 -8.537 -5.832 275 H LEU 34 H LEU 34 -0.984 -5.252 -7.836 276 HA LEU 34 HA LEU 34 -2.735 -3.390 -6.420 277 1HB LEU 34 2HB LEU 34 -3.390 -2.825 -8.894 278 2HB LEU 34 1HB LEU 34 -1.790 -2.385 -8.300 279 HG LEU 34 HG LEU 34 -1.979 -5.112 -9.417 280 1HD1 LEU 34 1HD1 LEU 34 -3.420 -3.339 -10.838 281 2HD1 LEU 34 3HD1 LEU 34 -1.816 -2.947 -11.459 282 3HD1 LEU 34 2HD1 LEU 34 -2.444 -4.588 -11.610 283 1HD2 LEU 34 2HD2 LEU 34 -0.102 -2.814 -9.256 284 2HD2 LEU 34 1HD2 LEU 34 0.217 -4.538 -9.074 285 3HD2 LEU 34 3HD2 LEU 34 0.053 -3.836 -10.684 286 H ASP 35 H ASP 35 -3.119 -6.566 -7.566 287 HA ASP 35 HA ASP 35 -5.941 -6.277 -8.281 288 1HB ASP 35 2HB ASP 35 -5.584 -8.951 -7.817 289 2HB ASP 35 1HB ASP 35 -5.387 -8.167 -9.379 290 H ALA 36 H ALA 36 -4.241 -8.022 -5.638 291 HA ALA 36 HA ALA 36 -6.708 -8.409 -4.180 292 1HB ALA 36 1HB ALA 36 -4.245 -9.566 -4.046 293 2HB ALA 36 3HB ALA 36 -4.191 -8.497 -2.644 294 3HB ALA 36 2HB ALA 36 -5.467 -9.708 -2.780 295 H LEU 37 H LEU 37 -4.149 -6.041 -4.107 296 HA LEU 37 HA LEU 37 -4.991 -4.728 -1.673 297 1HB LEU 37 2HB LEU 37 -2.749 -4.390 -2.670 298 2HB LEU 37 1HB LEU 37 -3.502 -3.588 -4.049 299 HG LEU 37 HG LEU 37 -4.605 -2.331 -1.815 300 1HD1 LEU 37 3HD1 LEU 37 -1.746 -3.122 -1.387 301 2HD1 LEU 37 2HD1 LEU 37 -2.276 -1.532 -0.839 302 3HD1 LEU 37 1HD1 LEU 37 -3.056 -2.984 -0.213 303 1HD2 LEU 37 1HD2 LEU 37 -2.542 -1.657 -3.888 304 2HD2 LEU 37 3HD2 LEU 37 -4.166 -1.006 -3.676 305 3HD2 LEU 37 2HD2 LEU 37 -2.866 -0.500 -2.594 306 H TRP 38 H TRP 38 -5.430 -3.888 -5.117 307 HA TRP 38 HA TRP 38 -7.262 -1.748 -4.721 308 1HB TRP 38 2HB TRP 38 -6.214 -2.276 -6.898 309 2HB TRP 38 1HB TRP 38 -7.064 -3.810 -6.929 310 HD1 TRP 38 HD1 TRP 38 -8.938 -3.778 -8.514 311 HE1 TRP 38 HE1 TRP 38 -10.723 -2.099 -9.309 312 HE3 TRP 38 HE3 TRP 38 -7.610 0.323 -5.754 313 HZ2 TRP 38 HZ2 TRP 38 -11.473 0.614 -8.857 314 HZ3 TRP 38 HZ3 TRP 38 -8.859 2.439 -5.984 315 HH2 TRP 38 HH2 TRP 38 -10.796 2.590 -7.521 316 H ASP 39 H ASP 39 -7.648 -5.208 -4.926 317 HA ASP 39 HA ASP 39 -10.508 -5.276 -4.857 318 1HB ASP 39 2HB ASP 39 -8.307 -7.191 -4.490 319 2HB ASP 39 1HB ASP 39 -9.746 -7.568 -3.538 320 H ALA 40 H ALA 40 -8.053 -4.945 -2.402 321 HA ALA 40 HA ALA 40 -9.971 -5.239 -0.192 322 1HB ALA 40 3HB ALA 40 -7.473 -5.804 -0.055 323 2HB ALA 40 2HB ALA 40 -7.193 -4.063 0.002 324 3HB ALA 40 1HB ALA 40 -8.136 -4.848 1.272 325 H LEU 41 H LEU 41 -7.759 -2.548 -0.940 326 HA LEU 41 HA LEU 41 -8.905 -0.466 0.368 327 1HB LEU 41 2HB LEU 41 -7.792 -0.552 -2.425 328 2HB LEU 41 1HB LEU 41 -8.305 0.966 -1.689 329 HG LEU 41 HG LEU 41 -6.463 -0.880 -0.201 330 1HD1 LEU 41 2HD1 LEU 41 -5.680 1.167 -2.300 331 2HD1 LEU 41 1HD1 LEU 41 -4.553 0.430 -1.152 332 3HD1 LEU 41 3HD1 LEU 41 -5.372 -0.570 -2.355 333 1HD2 LEU 41 2HD2 LEU 41 -7.712 1.428 0.494 334 2HD2 LEU 41 1HD2 LEU 41 -6.189 0.882 1.196 335 3HD2 LEU 41 3HD2 LEU 41 -6.183 2.055 -0.122 336 H THR 42 H THR 42 -10.049 -1.784 -2.658 337 HA THR 42 HA THR 42 -12.361 0.017 -2.727 338 HB THR 42 HB THR 42 -12.982 -1.122 -4.742 339 HG1 THR 42 HG1 THR 42 -12.509 -3.150 -5.077 340 1HG2 THR 42 1HG2 THR 42 -10.009 -0.814 -4.357 341 2HG2 THR 42 3HG2 THR 42 -10.685 -1.295 -5.913 342 3HG2 THR 42 2HG2 THR 42 -11.126 0.258 -5.204 343 H GLY 43 H GLY 43 -12.277 -1.468 -0.254 344 1HA GLY 43 2HA GLY 43 -14.701 -2.132 0.470 345 2HA GLY 43 1HA GLY 43 -14.428 -3.483 -0.629 346 H TRP 44 H TRP 44 -12.049 -2.052 1.682 347 HA TRP 44 HA TRP 44 -12.427 -4.201 3.598 348 1HB TRP 44 2HB TRP 44 -11.302 -5.536 1.882 349 2HB TRP 44 1HB TRP 44 -9.995 -4.352 1.796 350 HD1 TRP 44 HD1 TRP 44 -8.720 -3.903 4.266 351 HE1 TRP 44 HE1 TRP 44 -8.042 -5.651 6.034 352 HE3 TRP 44 HE3 TRP 44 -11.736 -7.771 2.878 353 HZ2 TRP 44 HZ2 TRP 44 -8.697 -8.340 6.765 354 HZ3 TRP 44 HZ3 TRP 44 -11.695 -9.914 4.123 355 HH2 TRP 44 HH2 TRP 44 -10.179 -10.204 6.063 356 H VAL 45 H VAL 45 -9.577 -2.512 2.371 357 HA VAL 45 HA VAL 45 -8.241 -1.861 4.639 358 HB VAL 45 HB VAL 45 -8.779 -0.385 2.116 359 1HG1 VAL 45 1HG1 VAL 45 -7.698 0.821 4.598 360 2HG1 VAL 45 3HG1 VAL 45 -6.880 1.204 3.083 361 3HG1 VAL 45 2HG1 VAL 45 -8.597 1.559 3.273 362 1HG2 VAL 45 3HG2 VAL 45 -6.779 -2.137 3.198 363 2HG2 VAL 45 2HG2 VAL 45 -6.936 -1.534 1.550 364 3HG2 VAL 45 1HG2 VAL 45 -6.027 -0.609 2.743 365 H GLU 46 H GLU 46 -11.292 -0.491 3.666 366 HA GLU 46 HA GLU 46 -12.851 0.728 4.945 367 1HB GLU 46 2HB GLU 46 -11.575 -0.683 6.815 368 2HB GLU 46 1HB GLU 46 -10.973 0.915 7.257 369 1HG GLU 46 2HG GLU 46 -13.444 1.667 7.131 370 2HG GLU 46 1HG GLU 46 -13.830 -0.054 7.171 371 H TYR 47 H TYR 47 -13.187 2.949 5.144 372 HA TYR 47 HA TYR 47 -10.765 4.702 5.076 373 1HB TYR 47 2HB TYR 47 -13.281 4.986 3.397 374 2HB TYR 47 1HB TYR 47 -11.911 6.097 3.382 375 HD1 TYR 47 HD2 TYR 47 -9.605 4.216 3.532 376 HD2 TYR 47 HD1 TYR 47 -13.256 3.992 1.265 377 HE1 TYR 47 HE2 TYR 47 -8.479 2.776 1.853 378 HE2 TYR 47 HE1 TYR 47 -12.118 2.560 -0.411 379 HH TYR 47 HH TYR 47 -9.995 1.969 -1.170 380 HA PRO 48 HA PRO 48 -11.026 7.160 4.490 381 1HB PRO 48 2HB PRO 48 -9.908 9.031 6.164 382 2HB PRO 48 1HB PRO 48 -11.396 9.295 5.233 383 1HG PRO 48 2HG PRO 48 -11.075 8.708 8.151 384 2HG PRO 48 1HG PRO 48 -12.330 9.649 7.325 385 1HD PRO 48 2HD PRO 48 -12.654 7.027 8.246 386 2HD PRO 48 1HD PRO 48 -13.666 7.803 7.006 387 H LEU 49 H LEU 49 -8.906 6.613 4.131 388 HA LEU 49 HA LEU 49 -7.467 5.273 6.384 389 1HB LEU 49 2HB LEU 49 -7.725 3.578 4.841 390 2HB LEU 49 1HB LEU 49 -7.806 4.689 3.479 391 HG LEU 49 HG LEU 49 -5.305 5.093 3.819 392 1HD1 LEU 49 3HD1 LEU 49 -5.825 3.511 6.117 393 2HD1 LEU 49 2HD1 LEU 49 -4.834 2.526 5.041 394 3HD1 LEU 49 1HD1 LEU 49 -4.264 4.112 5.559 395 1HD2 LEU 49 1HD2 LEU 49 -6.732 2.981 2.559 396 2HD2 LEU 49 3HD2 LEU 49 -5.179 3.677 2.092 397 3HD2 LEU 49 2HD2 LEU 49 -5.235 2.308 3.204 398 H VAL 50 H VAL 50 -5.111 5.559 6.394 399 HA VAL 50 HA VAL 50 -4.245 8.095 5.066 400 HB VAL 50 HB VAL 50 -3.860 7.069 7.860 401 1HG1 VAL 50 2HG1 VAL 50 -1.855 8.752 6.333 402 2HG1 VAL 50 1HG1 VAL 50 -1.921 8.678 8.094 403 3HG1 VAL 50 3HG1 VAL 50 -1.555 7.227 7.164 404 1HG2 VAL 50 2HG2 VAL 50 -5.390 9.007 6.919 405 2HG2 VAL 50 1HG2 VAL 50 -4.542 9.206 8.453 406 3HG2 VAL 50 3HG2 VAL 50 -3.889 9.930 6.983 407 H LEU 51 H LEU 51 -3.191 7.162 3.292 408 HA LEU 51 HA LEU 51 -1.401 4.862 3.702 409 1HB LEU 51 2HB LEU 51 -2.755 5.097 1.620 410 2HB LEU 51 1HB LEU 51 -1.849 6.567 1.237 411 HG LEU 51 HG LEU 51 0.254 5.030 1.511 412 1HD1 LEU 51 3HD1 LEU 51 -2.020 3.098 1.293 413 2HD1 LEU 51 2HD1 LEU 51 -0.459 2.697 0.564 414 3HD1 LEU 51 1HD1 LEU 51 -0.572 3.005 2.305 415 1HD2 LEU 51 2HD2 LEU 51 -1.043 6.012 -0.607 416 2HD2 LEU 51 1HD2 LEU 51 0.332 4.930 -0.773 417 3HD2 LEU 51 3HD2 LEU 51 -1.305 4.293 -0.900 418 H GLU 52 H GLU 52 -0.288 6.575 5.327 419 HA GLU 52 HA GLU 52 1.390 8.604 4.212 420 1HB GLU 52 2HB GLU 52 1.016 8.572 6.594 421 2HB GLU 52 1HB GLU 52 1.653 6.934 6.726 422 1HG GLU 52 2HG GLU 52 3.703 7.791 7.067 423 2HG GLU 52 1HG GLU 52 3.654 8.480 5.443 424 H TRP 53 H TRP 53 2.354 7.639 2.288 425 HA TRP 53 HA TRP 53 4.005 5.258 2.611 426 1HB TRP 53 2HB TRP 53 2.800 6.117 0.435 427 2HB TRP 53 1HB TRP 53 4.278 7.065 0.236 428 HD1 TRP 53 HD1 TRP 53 6.579 5.357 0.892 429 HE1 TRP 53 HE1 TRP 53 7.080 3.079 -0.198 430 HE3 TRP 53 HE3 TRP 53 1.947 4.184 -0.817 431 HZ2 TRP 53 HZ2 TRP 53 5.671 1.019 -1.598 432 HZ3 TRP 53 HZ3 TRP 53 1.524 2.067 -2.017 433 HH2 TRP 53 HH2 TRP 53 3.390 0.469 -2.405 434 H ARG 54 H ARG 54 5.740 5.625 3.958 435 HA ARG 54 HA ARG 54 7.183 8.112 4.077 436 1HB ARG 54 2HB ARG 54 8.399 5.439 4.782 437 2HB ARG 54 1HB ARG 54 8.706 7.012 5.513 438 1HG ARG 54 2HG ARG 54 5.889 6.338 5.681 439 2HG ARG 54 1HG ARG 54 6.881 5.080 6.417 440 1HD ARG 54 2HD ARG 54 6.760 8.015 7.111 441 2HD ARG 54 1HD ARG 54 6.508 6.629 8.171 442 HE ARG 54 HE ARG 54 8.981 6.175 7.912 443 1HH1 ARG 54 1HH2 ARG 54 7.642 9.224 8.354 444 2HH1 ARG 54 2HH2 ARG 54 9.111 10.101 8.082 445 1HH2 ARG 54 2HH1 ARG 54 10.894 7.314 7.043 446 2HH2 ARG 54 1HH1 ARG 54 10.952 9.020 7.340 447 H GLN 55 H GLN 55 9.878 6.606 3.847 448 HA GLN 55 HA GLN 55 10.800 7.578 1.437 449 1HB GLN 55 2HB GLN 55 11.561 5.195 3.080 450 2HB GLN 55 1HB GLN 55 12.292 5.377 1.485 451 1HG GLN 55 2HG GLN 55 12.252 7.870 3.035 452 2HG GLN 55 1HG GLN 55 13.202 6.591 3.792 453 1HE2 GLN 55 2HE2 GLN 55 15.482 8.326 1.426 454 2HE2 GLN 55 1HE2 GLN 55 14.663 8.732 2.856 455 H PHE 56 H PHE 56 9.344 7.404 -0.289 456 HA PHE 56 HA PHE 56 8.300 4.771 -1.072 457 1HB PHE 56 2HB PHE 56 6.864 6.714 -1.376 458 2HB PHE 56 1HB PHE 56 8.092 7.509 -2.360 459 HD1 PHE 56 HD1 PHE 56 8.592 6.732 -4.633 460 HD2 PHE 56 HD2 PHE 56 5.547 4.858 -2.254 461 HE1 PHE 56 HE1 PHE 56 7.709 5.606 -6.651 462 HE2 PHE 56 HE2 PHE 56 4.664 3.732 -4.271 463 HZ PHE 56 HZ PHE 56 5.742 4.104 -6.474 464 H GLU 57 H GLU 57 10.943 6.889 -1.916 465 HA GLU 57 HA GLU 57 11.541 5.910 -4.517 466 1HB GLU 57 2HB GLU 57 12.888 7.467 -2.457 467 2HB GLU 57 1HB GLU 57 14.012 6.397 -3.295 468 1HG GLU 57 2HG GLU 57 13.752 7.470 -5.308 469 2HG GLU 57 1HG GLU 57 12.063 7.871 -4.993 470 H GLN 58 H GLN 58 13.269 4.982 -1.513 471 HA GLN 58 HA GLN 58 14.364 2.598 -2.696 472 1HB GLN 58 2HB GLN 58 14.963 1.995 -0.362 473 2HB GLN 58 1HB GLN 58 15.408 3.658 -0.743 474 1HG GLN 58 2HG GLN 58 13.028 4.225 0.202 475 2HG GLN 58 1HG GLN 58 13.164 2.650 0.983 476 1HE2 GLN 58 2HE2 GLN 58 14.680 4.709 3.530 477 2HE2 GLN 58 1HE2 GLN 58 13.180 4.098 3.022 478 H SER 59 H SER 59 13.791 0.388 -2.182 479 HA SER 59 HA SER 59 12.324 -1.368 -1.556 480 1HB SER 59 2HB SER 59 11.481 0.449 0.187 481 2HB SER 59 1HB SER 59 10.111 0.550 -0.921 482 HG SER 59 HG SER 59 9.733 -1.042 0.629 483 H LYS 60 H LYS 60 11.474 1.330 -3.568 484 HA LYS 60 HA LYS 60 9.269 -0.037 -4.916 485 1HB LYS 60 2HB LYS 60 9.226 2.379 -4.817 486 2HB LYS 60 1HB LYS 60 10.837 2.477 -5.540 487 1HG LYS 60 2HG LYS 60 9.289 0.900 -7.301 488 2HG LYS 60 1HG LYS 60 8.271 2.272 -6.856 489 1HD LYS 60 2HD LYS 60 11.148 2.580 -7.745 490 2HD LYS 60 1HD LYS 60 9.785 2.656 -8.862 491 1HE LYS 60 2HE LYS 60 8.928 4.614 -7.882 492 2HE LYS 60 1HE LYS 60 9.827 4.368 -6.384 493 1HZ LYS 60 1HZ LYS 60 11.672 4.506 -8.467 494 2HZ LYS 60 3HZ LYS 60 10.600 5.803 -8.670 495 3HZ LYS 60 2HZ LYS 60 11.437 5.617 -7.203 496 H GLN 61 H GLN 61 12.578 0.951 -5.840 497 HA GLN 61 HA GLN 61 12.478 -0.657 -8.287 498 1HB GLN 61 2HB GLN 61 13.780 1.498 -8.043 499 2HB GLN 61 1HB GLN 61 14.874 0.628 -6.966 500 1HG GLN 61 2HG GLN 61 15.604 -0.823 -8.692 501 2HG GLN 61 1HG GLN 61 14.249 -0.393 -9.737 502 1HE2 GLN 61 2HE2 GLN 61 16.196 2.058 -11.328 503 2HE2 GLN 61 1HE2 GLN 61 15.040 0.823 -11.459 504 H LEU 62 H LEU 62 13.218 -1.146 -5.029 505 HA LEU 62 HA LEU 62 15.194 -3.231 -5.297 506 1HB LEU 62 2HB LEU 62 13.318 -2.420 -3.062 507 2HB LEU 62 1HB LEU 62 14.479 -3.740 -2.901 508 HG LEU 62 HG LEU 62 16.342 -2.257 -3.213 509 1HD1 LEU 62 2HD1 LEU 62 14.268 -0.149 -3.909 510 2HD1 LEU 62 1HD1 LEU 62 15.981 0.183 -3.657 511 3HD1 LEU 62 3HD1 LEU 62 15.473 -0.840 -4.999 512 1HD2 LEU 62 2HD2 LEU 62 14.180 -1.256 -1.381 513 2HD2 LEU 62 1HD2 LEU 62 15.683 -2.085 -0.971 514 3HD2 LEU 62 3HD2 LEU 62 15.717 -0.397 -1.484 515 H THR 63 H THR 63 11.992 -3.152 -6.188 516 HA THR 63 HA THR 63 11.766 -6.118 -5.884 517 HB THR 63 HB THR 63 10.010 -5.561 -4.522 518 HG1 THR 63 HG1 THR 63 8.496 -6.231 -5.762 519 1HG2 THR 63 2HG2 THR 63 10.635 -3.114 -4.679 520 2HG2 THR 63 1HG2 THR 63 9.512 -2.992 -6.030 521 3HG2 THR 63 3HG2 THR 63 8.920 -3.435 -4.431 522 H GLU 64 H GLU 64 9.493 -4.013 -7.518 523 HA GLU 64 HA GLU 64 10.470 -3.979 -10.135 524 1HB GLU 64 2HB GLU 64 9.129 -5.958 -11.080 525 2HB GLU 64 1HB GLU 64 10.616 -6.361 -10.220 526 1HG GLU 64 2HG GLU 64 8.621 -6.241 -8.238 527 2HG GLU 64 1HG GLU 64 7.888 -7.108 -9.590 528 H ASN 65 H ASN 65 9.020 -2.174 -8.898 529 HA ASN 65 HA ASN 65 7.154 -0.800 -9.363 530 1HB ASN 65 2HB ASN 65 7.119 -2.407 -11.530 531 2HB ASN 65 1HB ASN 65 5.643 -2.960 -10.741 532 1HD2 ASN 65 2HD2 ASN 65 3.855 -0.179 -11.920 533 2HD2 ASN 65 1HD2 ASN 65 3.861 -1.823 -11.500 534 H GLY 66 H GLY 66 7.466 -3.243 -7.377 535 1HA GLY 66 2HA GLY 66 4.826 -4.080 -6.673 536 2HA GLY 66 1HA GLY 66 6.212 -4.076 -5.574 537 H ALA 67 H ALA 67 6.867 -1.642 -5.006 538 HA ALA 67 HA ALA 67 4.745 -0.549 -3.436 539 1HB ALA 67 1HB ALA 67 7.337 0.664 -4.440 540 2HB ALA 67 3HB ALA 67 6.265 1.479 -3.302 541 3HB ALA 67 2HB ALA 67 7.033 -0.044 -2.854 542 H GLU 68 H GLU 68 6.127 0.607 -6.534 543 HA GLU 68 HA GLU 68 4.447 2.817 -6.900 544 1HB GLU 68 2HB GLU 68 6.044 1.053 -8.660 545 2HB GLU 68 1HB GLU 68 4.749 1.946 -9.458 546 1HG GLU 68 2HG GLU 68 5.604 4.055 -8.556 547 2HG GLU 68 1HG GLU 68 6.862 3.189 -7.674 548 H SER 69 H SER 69 3.747 -0.593 -7.255 549 HA SER 69 HA SER 69 1.276 -0.132 -8.747 550 1HB SER 69 2HB SER 69 2.772 -2.474 -7.732 551 2HB SER 69 1HB SER 69 1.022 -2.668 -7.776 552 HG SER 69 HG SER 69 2.829 -2.119 -9.870 553 H VAL 70 H VAL 70 1.962 -1.245 -5.388 554 HA VAL 70 HA VAL 70 -0.705 -1.287 -4.522 555 HB VAL 70 HB VAL 70 1.714 -0.331 -2.951 556 1HG1 VAL 70 1HG1 VAL 70 -0.970 -0.116 -2.306 557 2HG1 VAL 70 3HG1 VAL 70 -0.501 -1.628 -1.535 558 3HG1 VAL 70 2HG1 VAL 70 0.360 -0.138 -1.148 559 1HG2 VAL 70 1HG2 VAL 70 1.158 -2.878 -4.013 560 2HG2 VAL 70 3HG2 VAL 70 2.316 -2.507 -2.735 561 3HG2 VAL 70 2HG2 VAL 70 0.670 -2.981 -2.322 562 H LEU 71 H LEU 71 1.488 1.279 -5.245 563 HA LEU 71 HA LEU 71 -0.148 3.280 -3.958 564 1HB LEU 71 2HB LEU 71 2.368 3.438 -4.289 565 2HB LEU 71 1HB LEU 71 2.026 3.774 -5.989 566 HG LEU 71 HG LEU 71 0.819 5.752 -5.459 567 1HD1 LEU 71 2HD1 LEU 71 0.718 4.527 -2.740 568 2HD1 LEU 71 1HD1 LEU 71 0.711 6.291 -2.847 569 3HD1 LEU 71 3HD1 LEU 71 -0.556 5.353 -3.651 570 1HD2 LEU 71 3HD2 LEU 71 3.463 5.486 -4.930 571 2HD2 LEU 71 2HD2 LEU 71 2.606 7.024 -4.829 572 3HD2 LEU 71 1HD2 LEU 71 2.890 6.076 -3.370 573 H GLN 72 H GLN 72 0.350 2.093 -7.257 574 HA GLN 72 HA GLN 72 -1.170 4.051 -8.620 575 1HB GLN 72 2HB GLN 72 -0.872 2.654 -10.390 576 2HB GLN 72 1HB GLN 72 0.093 1.699 -9.268 577 1HG GLN 72 2HG GLN 72 -1.824 0.358 -8.673 578 2HG GLN 72 1HG GLN 72 -2.871 1.355 -9.681 579 1HE2 GLN 72 2HE2 GLN 72 -0.407 -1.408 -11.447 580 2HE2 GLN 72 1HE2 GLN 72 -0.177 -0.987 -9.820 581 H VAL 73 H VAL 73 -2.069 1.215 -6.867 582 HA VAL 73 HA VAL 73 -4.923 1.424 -7.362 583 HB VAL 73 HB VAL 73 -3.379 -0.148 -5.288 584 1HG1 VAL 73 2HG1 VAL 73 -5.832 0.271 -4.812 585 2HG1 VAL 73 1HG1 VAL 73 -6.182 -0.587 -6.311 586 3HG1 VAL 73 3HG1 VAL 73 -5.380 -1.425 -4.984 587 1HG2 VAL 73 1HG2 VAL 73 -3.581 -0.359 -8.105 588 2HG2 VAL 73 3HG2 VAL 73 -2.876 -1.532 -6.990 589 3HG2 VAL 73 2HG2 VAL 73 -4.583 -1.651 -7.435 590 H PHE 74 H PHE 74 -2.943 2.051 -4.430 591 HA PHE 74 HA PHE 74 -4.937 2.858 -2.701 592 1HB PHE 74 2HB PHE 74 -2.063 3.473 -3.071 593 2HB PHE 74 1HB PHE 74 -2.972 4.636 -2.126 594 HD1 PHE 74 HD2 PHE 74 -4.745 3.437 -0.427 595 HD2 PHE 74 HD1 PHE 74 -1.070 1.759 -1.885 596 HE1 PHE 74 HE2 PHE 74 -4.691 1.856 1.471 597 HE2 PHE 74 HE1 PHE 74 -1.030 0.192 0.034 598 HZ PHE 74 HZ PHE 74 -2.854 0.256 1.697 599 H ARG 75 H ARG 75 -3.052 4.840 -4.929 600 HA ARG 75 HA ARG 75 -4.562 7.239 -4.664 601 1HB ARG 75 2HB ARG 75 -2.776 6.114 -6.810 602 2HB ARG 75 1HB ARG 75 -3.658 7.618 -7.079 603 1HG ARG 75 2HG ARG 75 -2.617 8.654 -5.163 604 2HG ARG 75 1HG ARG 75 -1.889 7.123 -4.673 605 1HD ARG 75 2HD ARG 75 -0.148 8.326 -5.773 606 2HD ARG 75 1HD ARG 75 -0.704 7.128 -6.942 607 HE ARG 75 HE ARG 75 -1.675 8.891 -8.236 608 1HH1 ARG 75 1HH2 ARG 75 -2.989 10.649 -6.400 609 2HH1 ARG 75 2HH2 ARG 75 -1.934 12.016 -6.267 610 1HH2 ARG 75 2HH1 ARG 75 0.819 10.352 -7.562 611 2HH2 ARG 75 1HH1 ARG 75 0.221 11.849 -6.926 612 H GLU 76 H GLU 76 -4.937 4.423 -6.855 613 HA GLU 76 HA GLU 76 -6.975 5.498 -8.515 614 1HB GLU 76 2HB GLU 76 -6.196 2.761 -7.632 615 2HB GLU 76 1HB GLU 76 -7.796 2.952 -8.346 616 1HG GLU 76 2HG GLU 76 -5.161 3.755 -9.601 617 2HG GLU 76 1HG GLU 76 -6.202 2.422 -10.101 618 H ALA 77 H ALA 77 -7.069 4.332 -5.232 619 HA ALA 77 HA ALA 77 -9.996 4.249 -5.102 620 1HB ALA 77 2HB ALA 77 -8.051 3.030 -3.646 621 2HB ALA 77 1HB ALA 77 -8.381 4.419 -2.613 622 3HB ALA 77 3HB ALA 77 -9.681 3.306 -3.027 623 H LYS 78 H LYS 78 -7.454 6.343 -3.663 624 HA LYS 78 HA LYS 78 -9.284 8.249 -2.603 625 1HB LYS 78 2HB LYS 78 -7.394 9.391 -1.987 626 2HB LYS 78 1HB LYS 78 -6.636 7.851 -2.356 627 1HG LYS 78 2HG LYS 78 -5.284 9.149 -3.664 628 2HG LYS 78 1HG LYS 78 -6.605 8.988 -4.821 629 1HD LYS 78 2HD LYS 78 -6.071 11.335 -4.657 630 2HD LYS 78 1HD LYS 78 -7.609 11.085 -3.830 631 1HE LYS 78 2HE LYS 78 -6.363 12.425 -2.329 632 2HE LYS 78 1HE LYS 78 -6.192 10.790 -1.690 633 1HZ LYS 78 3HZ LYS 78 -4.218 11.554 -3.663 634 2HZ LYS 78 2HZ LYS 78 -4.139 12.419 -2.204 635 3HZ LYS 78 1HZ LYS 78 -4.024 10.724 -2.198 636 H ALA 79 H ALA 79 -8.458 7.489 -5.800 637 HA ALA 79 HA ALA 79 -9.001 10.166 -6.910 638 1HB ALA 79 2HB ALA 79 -7.441 8.121 -7.790 639 2HB ALA 79 1HB ALA 79 -8.934 7.773 -8.670 640 3HB ALA 79 3HB ALA 79 -8.132 9.335 -8.867 641 H GLU 80 H GLU 80 -10.260 6.946 -7.683 642 HA GLU 80 HA GLU 80 -12.632 7.739 -8.908 643 1HB GLU 80 2HB GLU 80 -12.354 5.282 -7.167 644 2HB GLU 80 1HB GLU 80 -13.382 5.497 -8.583 645 1HG GLU 80 2HG GLU 80 -10.660 6.098 -9.290 646 2HG GLU 80 1HG GLU 80 -10.735 4.508 -8.530 647 H GLY 81 H GLY 81 -12.335 6.706 -5.461 648 1HA GLY 81 2HA GLY 81 -14.183 8.814 -4.651 649 2HA GLY 81 1HA GLY 81 -14.948 7.223 -4.653 650 H ALA 82 H ALA 82 -12.495 5.818 -3.855 651 HA ALA 82 HA ALA 82 -12.765 5.516 -1.161 652 1HB ALA 82 3HB ALA 82 -10.865 4.752 -3.021 653 2HB ALA 82 2HB ALA 82 -9.921 5.668 -1.842 654 3HB ALA 82 1HB ALA 82 -10.881 4.281 -1.322 655 H ASP 83 H ASP 83 -11.956 6.477 0.736 656 HA ASP 83 HA ASP 83 -11.071 9.310 0.414 657 1HB ASP 83 2HB ASP 83 -12.468 7.845 2.669 658 2HB ASP 83 1HB ASP 83 -11.763 9.450 2.874 659 H ILE 84 H ILE 84 -9.010 7.825 -0.086 660 HA ILE 84 HA ILE 84 -7.607 7.190 2.457 661 HB ILE 84 HB ILE 84 -7.034 6.482 -0.431 662 1HG1 ILE 84 2HG1 ILE 84 -7.409 4.464 1.690 663 2HG1 ILE 84 1HG1 ILE 84 -8.840 5.402 1.269 664 1HG2 ILE 84 1HG2 ILE 84 -4.977 6.848 1.063 665 2HG2 ILE 84 3HG2 ILE 84 -5.575 5.496 2.026 666 3HG2 ILE 84 2HG2 ILE 84 -5.129 5.248 0.335 667 1HD1 ILE 84 2HD1 ILE 84 -7.332 4.556 -1.080 668 2HD1 ILE 84 1HD1 ILE 84 -7.885 3.191 -0.109 669 3HD1 ILE 84 3HD1 ILE 84 -9.048 4.367 -0.719 670 H THR 85 H THR 85 -5.428 7.977 2.761 671 HA THR 85 HA THR 85 -4.935 10.569 1.368 672 HB THR 85 HB THR 85 -3.321 10.050 3.750 673 HG1 THR 85 HG1 THR 85 -6.091 10.371 4.170 674 1HG2 THR 85 3HG2 THR 85 -4.878 12.195 2.469 675 2HG2 THR 85 2HG2 THR 85 -4.897 12.245 4.232 676 3HG2 THR 85 1HG2 THR 85 -3.362 12.285 3.366 677 H ILE 86 H ILE 86 -3.786 9.730 -0.408 678 HA ILE 86 HA ILE 86 -1.605 7.842 -0.026 679 HB ILE 86 HB ILE 86 -2.918 9.218 -2.304 680 1HG1 ILE 86 2HG1 ILE 86 -3.040 7.040 -3.181 681 2HG1 ILE 86 1HG1 ILE 86 -1.623 6.496 -2.289 682 1HG2 ILE 86 3HG2 ILE 86 0.022 8.718 -2.200 683 2HG2 ILE 86 2HG2 ILE 86 -0.821 8.253 -3.677 684 3HG2 ILE 86 1HG2 ILE 86 -0.882 9.923 -3.117 685 1HD1 ILE 86 3HD1 ILE 86 -3.792 7.411 -0.532 686 2HD1 ILE 86 2HD1 ILE 86 -4.257 6.053 -1.550 687 3HD1 ILE 86 1HD1 ILE 86 -2.865 5.910 -0.476 688 H ILE 87 H ILE 87 0.010 8.672 1.241 689 HA ILE 87 HA ILE 87 0.993 11.418 0.715 690 HB ILE 87 HB ILE 87 2.104 9.435 2.707 691 1HG1 ILE 87 2HG1 ILE 87 -0.244 9.558 3.205 692 2HG1 ILE 87 1HG1 ILE 87 0.565 10.644 4.336 693 1HG2 ILE 87 2HG2 ILE 87 2.240 12.406 2.267 694 2HG2 ILE 87 1HG2 ILE 87 2.463 11.743 3.886 695 3HG2 ILE 87 3HG2 ILE 87 3.551 11.270 2.581 696 1HD1 ILE 87 2HD1 ILE 87 -0.660 11.535 1.712 697 2HD1 ILE 87 1HD1 ILE 87 -1.476 11.649 3.271 698 3HD1 ILE 87 3HD1 ILE 87 -0.001 12.571 2.978 699 H LEU 88 H LEU 88 2.834 11.836 -0.436 700 HA LEU 88 HA LEU 88 4.675 9.560 -1.013 701 1HB LEU 88 2HB LEU 88 3.284 11.377 -2.968 702 2HB LEU 88 1HB LEU 88 4.860 10.692 -3.366 703 HG LEU 88 HG LEU 88 2.684 8.902 -2.327 704 1HD1 LEU 88 2HD1 LEU 88 2.138 10.475 -4.463 705 2HD1 LEU 88 1HD1 LEU 88 2.987 9.158 -5.272 706 3HD1 LEU 88 3HD1 LEU 88 1.545 8.821 -4.313 707 1HD2 LEU 88 2HD2 LEU 88 5.354 8.637 -3.321 708 2HD2 LEU 88 1HD2 LEU 88 4.270 7.363 -2.762 709 3HD2 LEU 88 3HD2 LEU 88 4.268 7.840 -4.459 710 H SER 89 HN SER 89 6.844 10.151 -1.054 711 HA SER 89 HA SER 89 7.893 12.729 -1.530 712 1HB SER 89 2HB SER 89 8.395 13.427 0.837 713 2HB SER 89 1HB SER 89 6.682 13.505 0.420 714 HG SER 89 HG SER 89 6.290 11.806 1.670 No H/Q in entry = 714 Start of MODEL 7 1 1H LYS 1 2H LYS 1 -8.492 5.041 8.359 2 2H LYS 1 1H LYS 1 -8.503 3.509 7.623 3 3H LYS 1 3H LYS 1 -9.394 3.772 9.043 4 HA LYS 1 HA LYS 1 -7.543 3.805 10.391 5 1HB LYS 1 2HB LYS 1 -7.839 1.691 8.534 6 2HB LYS 1 1HB LYS 1 -6.106 2.001 8.653 7 1HG LYS 1 2HG LYS 1 -6.775 2.138 11.272 8 2HG LYS 1 1HG LYS 1 -7.992 0.990 10.711 9 1HD LYS 1 2HD LYS 1 -6.127 -0.313 9.609 10 2HD LYS 1 1HD LYS 1 -4.986 0.752 10.431 11 1HE LYS 1 2HE LYS 1 -7.130 -0.671 11.992 12 2HE LYS 1 1HE LYS 1 -5.629 -1.499 11.577 13 1HZ LYS 1 1HZ LYS 1 -5.761 1.124 12.959 14 2HZ LYS 1 3HZ LYS 1 -5.572 -0.362 13.755 15 3HZ LYS 1 2HZ LYS 1 -4.373 0.184 12.682 16 H LYS 2 H LYS 2 -4.900 3.360 10.055 17 HA LYS 2 HA LYS 2 -3.982 5.513 8.198 18 1HB LYS 2 2HB LYS 2 -3.871 6.586 10.296 19 2HB LYS 2 1HB LYS 2 -3.352 5.117 11.120 20 1HG LYS 2 2HG LYS 2 -1.169 5.506 10.660 21 2HG LYS 2 1HG LYS 2 -1.517 5.940 8.985 22 1HD LYS 2 2HD LYS 2 -2.411 8.157 9.890 23 2HD LYS 2 1HD LYS 2 -1.675 7.712 11.431 24 1HE LYS 2 2HE LYS 2 0.521 7.586 10.416 25 2HE LYS 2 1HE LYS 2 -0.163 7.823 8.808 26 1HZ LYS 2 1HZ LYS 2 -1.119 9.950 10.114 27 2HZ LYS 2 3HZ LYS 2 0.375 9.757 10.891 28 3HZ LYS 2 2HZ LYS 2 0.316 9.960 9.205 29 H ALA 3 H ALA 3 -2.944 4.290 6.676 30 HA ALA 3 HA ALA 3 -1.184 2.069 7.557 31 1HB ALA 3 3HB ALA 3 -2.841 2.442 5.320 32 2HB ALA 3 2HB ALA 3 -1.199 2.599 4.696 33 3HB ALA 3 1HB ALA 3 -1.679 1.137 5.559 34 H VAL 4 H VAL 4 1.065 2.186 7.309 35 HA VAL 4 HA VAL 4 2.127 4.702 6.115 36 HB VAL 4 HB VAL 4 2.970 3.471 8.756 37 1HG1 VAL 4 1HG1 VAL 4 4.331 5.237 6.870 38 2HG1 VAL 4 3HG1 VAL 4 4.152 5.977 8.461 39 3HG1 VAL 4 2HG1 VAL 4 4.968 4.422 8.299 40 1HG2 VAL 4 2HG2 VAL 4 1.187 5.693 7.950 41 2HG2 VAL 4 1HG2 VAL 4 1.209 4.752 9.442 42 3HG2 VAL 4 3HG2 VAL 4 2.340 6.087 9.225 43 H ILE 5 H ILE 5 3.783 4.366 4.763 44 HA ILE 5 HA ILE 5 4.887 1.621 4.543 45 HB ILE 5 HB ILE 5 5.353 3.927 2.645 46 1HG1 ILE 5 2HG1 ILE 5 2.832 3.211 3.298 47 2HG1 ILE 5 1HG1 ILE 5 3.279 3.678 1.673 48 1HG2 ILE 5 2HG2 ILE 5 5.866 1.024 2.704 49 2HG2 ILE 5 1HG2 ILE 5 5.184 1.613 1.190 50 3HG2 ILE 5 3HG2 ILE 5 6.686 2.302 1.805 51 1HD1 ILE 5 2HD1 ILE 5 3.666 0.817 2.332 52 2HD1 ILE 5 1HD1 ILE 5 1.994 1.372 2.263 53 3HD1 ILE 5 3HD1 ILE 5 3.043 1.560 0.858 54 H ASN 6 H ASN 6 6.895 1.242 5.339 55 HA ASN 6 HA ASN 6 8.614 3.617 5.889 56 1HB ASN 6 2HB ASN 6 9.125 0.977 7.200 57 2HB ASN 6 1HB ASN 6 9.377 2.606 7.827 58 1HD2 ASN 6 2HD2 ASN 6 6.441 2.256 9.711 59 2HD2 ASN 6 1HD2 ASN 6 8.094 2.638 9.673 60 H GLY 7 H GLY 7 9.949 3.734 4.113 61 1HA GLY 7 2HA GLY 7 10.890 1.343 2.760 62 2HA GLY 7 1HA GLY 7 11.413 2.998 2.419 63 H GLU 8 H GLU 8 11.690 2.688 5.674 64 HA GLU 8 HA GLU 8 14.564 2.069 5.438 65 1HB GLU 8 2HB GLU 8 14.481 2.955 7.909 66 2HB GLU 8 1HB GLU 8 14.418 4.091 6.559 67 1HG GLU 8 2HG GLU 8 12.174 4.497 6.818 68 2HG GLU 8 1HG GLU 8 11.867 2.916 7.528 69 H GLN 9 H GLN 9 11.661 0.697 6.475 70 HA GLN 9 HA GLN 9 13.134 -1.300 8.139 71 1HB GLN 9 2HB GLN 9 11.107 0.207 9.041 72 2HB GLN 9 1HB GLN 9 10.165 -1.083 8.290 73 1HG GLN 9 2HG GLN 9 12.354 -1.459 10.356 74 2HG GLN 9 1HG GLN 9 10.622 -1.619 10.647 75 1HE2 GLN 9 2HE2 GLN 9 12.587 -4.821 9.363 76 2HE2 GLN 9 1HE2 GLN 9 13.312 -3.478 10.107 77 H ILE 10 H ILE 10 11.183 -0.743 5.385 78 HA ILE 10 HA ILE 10 10.313 -3.490 5.009 79 HB ILE 10 HB ILE 10 10.519 -1.171 3.061 80 1HG1 ILE 10 2HG1 ILE 10 8.917 -1.044 5.072 81 2HG1 ILE 10 1HG1 ILE 10 8.200 -0.818 3.478 82 1HG2 ILE 10 2HG2 ILE 10 9.701 -4.020 2.763 83 2HG2 ILE 10 1HG2 ILE 10 8.676 -2.817 1.980 84 3HG2 ILE 10 3HG2 ILE 10 10.389 -2.915 1.573 85 1HD1 ILE 10 2HD1 ILE 10 7.656 -3.297 3.492 86 2HD1 ILE 10 1HD1 ILE 10 8.151 -3.316 5.184 87 3HD1 ILE 10 3HD1 ILE 10 6.776 -2.337 4.679 88 H ARG 11 H ARG 11 12.021 -4.898 4.967 89 HA ARG 11 HA ARG 11 14.587 -4.358 3.801 90 1HB ARG 11 2HB ARG 11 13.688 -7.180 3.710 91 2HB ARG 11 1HB ARG 11 15.140 -6.485 4.433 92 1HG ARG 11 2HG ARG 11 13.590 -5.532 6.240 93 2HG ARG 11 1HG ARG 11 12.360 -6.623 5.591 94 1HD ARG 11 2HD ARG 11 14.792 -8.102 5.901 95 2HD ARG 11 1HD ARG 11 14.474 -7.243 7.410 96 HE ARG 11 HE ARG 11 12.110 -8.583 6.360 97 1HH1 ARG 11 1HH2 ARG 11 12.797 -8.241 9.273 98 2HH1 ARG 11 2HH2 ARG 11 13.211 -9.859 9.732 99 1HH2 ARG 11 2HH1 ARG 11 13.602 -10.967 6.470 100 2HH2 ARG 11 1HH1 ARG 11 13.666 -11.402 8.145 101 H SER 12 H SER 12 11.715 -6.028 2.559 102 HA SER 12 HA SER 12 12.620 -5.355 -0.189 103 1HB SER 12 2HB SER 12 12.805 -7.509 -0.945 104 2HB SER 12 1HB SER 12 13.206 -7.822 0.741 105 HG SER 12 HG SER 12 11.537 -9.193 -0.102 106 H ILE 13 H ILE 13 10.846 -5.777 -1.789 107 HA ILE 13 HA ILE 13 8.462 -4.505 -1.215 108 HB ILE 13 HB ILE 13 9.225 -5.224 -3.465 109 1HG1 ILE 13 2HG1 ILE 13 6.755 -4.653 -2.825 110 2HG1 ILE 13 1HG1 ILE 13 7.081 -5.386 -4.392 111 1HG2 ILE 13 1HG2 ILE 13 8.367 -7.929 -2.434 112 2HG2 ILE 13 3HG2 ILE 13 8.596 -7.582 -4.147 113 3HG2 ILE 13 2HG2 ILE 13 9.957 -7.456 -3.032 114 1HD1 ILE 13 3HD1 ILE 13 6.647 -7.645 -3.239 115 2HD1 ILE 13 2HD1 ILE 13 5.973 -6.700 -1.918 116 3HD1 ILE 13 1HD1 ILE 13 5.257 -6.607 -3.521 117 H SER 14 H SER 14 9.283 -7.881 -0.578 118 HA SER 14 HA SER 14 6.758 -8.943 0.016 119 1HB SER 14 2HB SER 14 9.308 -9.857 0.260 120 2HB SER 14 1HB SER 14 8.892 -9.621 1.955 121 HG SER 14 HG SER 14 7.686 -11.325 1.814 122 H ASP 15 H ASP 15 8.938 -7.246 2.311 123 HA ASP 15 HA ASP 15 7.078 -7.279 4.474 124 1HB ASP 15 2HB ASP 15 9.679 -6.099 3.866 125 2HB ASP 15 1HB ASP 15 8.688 -5.061 4.883 126 H LEU 16 H LEU 16 7.317 -5.313 1.672 127 HA LEU 16 HA LEU 16 5.975 -2.954 2.593 128 1HB LEU 16 2HB LEU 16 7.156 -3.061 0.428 129 2HB LEU 16 1HB LEU 16 5.990 -4.240 -0.158 130 HG LEU 16 HG LEU 16 4.546 -2.616 -0.761 131 1HD1 LEU 16 2HD1 LEU 16 4.981 -1.548 2.026 132 2HD1 LEU 16 1HD1 LEU 16 4.077 -0.616 0.833 133 3HD1 LEU 16 3HD1 LEU 16 3.512 -2.214 1.313 134 1HD2 LEU 16 3HD2 LEU 16 7.006 -1.587 -0.977 135 2HD2 LEU 16 2HD2 LEU 16 5.560 -0.684 -1.435 136 3HD2 LEU 16 1HD2 LEU 16 6.312 -0.408 0.137 137 H HIS 17 H HIS 17 4.726 -5.706 0.721 138 HA HIS 17 HA HIS 17 1.981 -5.010 1.043 139 1HB HIS 17 2HB HIS 17 3.273 -7.689 0.476 140 2HB HIS 17 1HB HIS 17 1.549 -7.336 0.280 141 HD1 HIS 17 HD1 HIS 17 0.988 -6.723 -2.072 142 HD2 HIS 17 HD2 HIS 17 4.834 -5.499 -1.069 143 HE1 HIS 17 HE1 HIS 17 1.945 -5.565 -4.123 144 H GLN 18 H GLN 18 4.232 -6.343 3.205 145 HA GLN 18 HA GLN 18 2.242 -7.675 4.899 146 1HB GLN 18 2HB GLN 18 5.160 -6.972 5.319 147 2HB GLN 18 1HB GLN 18 4.177 -7.793 6.532 148 1HG GLN 18 2HG GLN 18 3.654 -9.546 4.780 149 2HG GLN 18 1HG GLN 18 4.870 -8.783 3.756 150 1HE2 GLN 18 2HE2 GLN 18 6.087 -10.811 7.120 151 2HE2 GLN 18 1HE2 GLN 18 4.482 -10.270 7.010 152 H THR 19 H THR 19 3.851 -4.640 4.582 153 HA THR 19 HA THR 19 2.980 -3.508 7.100 154 HB THR 19 HB THR 19 4.244 -2.450 4.590 155 HG1 THR 19 HG1 THR 19 5.492 -3.318 6.291 156 1HG2 THR 19 2HG2 THR 19 2.523 -0.921 6.410 157 2HG2 THR 19 1HG2 THR 19 4.149 -0.252 6.261 158 3HG2 THR 19 3HG2 THR 19 3.156 -0.482 4.822 159 H LEU 20 H LEU 20 1.747 -3.647 3.849 160 HA LEU 20 HA LEU 20 -0.502 -1.829 4.432 161 1HB LEU 20 2HB LEU 20 -0.613 -3.713 2.108 162 2HB LEU 20 1HB LEU 20 -1.106 -2.021 2.200 163 HG LEU 20 HG LEU 20 1.767 -2.928 2.278 164 1HD1 LEU 20 2HD1 LEU 20 -0.056 -2.730 0.055 165 2HD1 LEU 20 1HD1 LEU 20 1.244 -1.551 -0.108 166 3HD1 LEU 20 3HD1 LEU 20 1.626 -3.263 0.068 167 1HD2 LEU 20 2HD2 LEU 20 0.960 -0.662 3.252 168 2HD2 LEU 20 1HD2 LEU 20 2.313 -0.642 2.121 169 3HD2 LEU 20 3HD2 LEU 20 0.695 -0.209 1.566 170 H LYS 21 H LYS 21 0.223 -5.223 4.335 171 HA LYS 21 HA LYS 21 -2.530 -6.115 4.677 172 1HB LYS 21 2HB LYS 21 -0.947 -7.663 3.712 173 2HB LYS 21 1HB LYS 21 0.145 -7.482 5.089 174 1HG LYS 21 2HG LYS 21 -1.023 -8.965 6.342 175 2HG LYS 21 1HG LYS 21 -2.574 -8.268 5.864 176 1HD LYS 21 2HD LYS 21 -2.766 -9.630 3.992 177 2HD LYS 21 1HD LYS 21 -1.022 -9.852 3.848 178 1HE LYS 21 2HE LYS 21 -2.817 -11.070 5.966 179 2HE LYS 21 1HE LYS 21 -2.033 -11.928 4.639 180 1HZ LYS 21 1HZ LYS 21 0.029 -10.646 5.807 181 2HZ LYS 21 3HZ LYS 21 -0.939 -11.024 7.147 182 3HZ LYS 21 2HZ LYS 21 -0.406 -12.260 6.111 183 H LYS 22 H LYS 22 0.006 -4.941 6.710 184 HA LYS 22 HA LYS 22 -1.170 -6.018 9.180 185 1HB LYS 22 2HB LYS 22 1.162 -5.867 9.347 186 2HB LYS 22 1HB LYS 22 1.221 -4.329 8.490 187 1HG LYS 22 2HG LYS 22 0.304 -3.155 10.392 188 2HG LYS 22 1HG LYS 22 -0.003 -4.672 11.240 189 1HD LYS 22 2HD LYS 22 2.215 -4.982 11.784 190 2HD LYS 22 1HD LYS 22 2.793 -4.161 10.334 191 1HE LYS 22 2HE LYS 22 1.745 -2.030 11.446 192 2HE LYS 22 1HE LYS 22 1.859 -2.973 12.933 193 1HZ LYS 22 1HZ LYS 22 4.271 -3.375 11.823 194 2HZ LYS 22 3HZ LYS 22 3.952 -1.781 11.340 195 3HZ LYS 22 2HZ LYS 22 3.936 -2.186 12.990 196 H GLU 23 H GLU 23 -0.845 -2.836 7.583 197 HA GLU 23 HA GLU 23 -2.363 -1.482 9.663 198 1HB GLU 23 2HB GLU 23 -1.732 -0.535 6.860 199 2HB GLU 23 1HB GLU 23 -2.228 0.471 8.221 200 1HG GLU 23 2HG GLU 23 0.276 -1.233 8.228 201 2HG GLU 23 1HG GLU 23 0.260 0.474 7.785 202 H LEU 24 H LEU 24 -3.018 -2.380 6.327 203 HA LEU 24 HA LEU 24 -5.799 -1.616 6.404 204 1HB LEU 24 2HB LEU 24 -4.591 -3.666 4.535 205 2HB LEU 24 1HB LEU 24 -5.955 -2.590 4.234 206 HG LEU 24 HG LEU 24 -3.217 -1.477 4.829 207 1HD1 LEU 24 3HD1 LEU 24 -4.270 -2.637 2.272 208 2HD1 LEU 24 2HD1 LEU 24 -3.190 -1.244 2.216 209 3HD1 LEU 24 1HD1 LEU 24 -2.652 -2.748 2.966 210 1HD2 LEU 24 1HD2 LEU 24 -5.751 -0.373 4.468 211 2HD2 LEU 24 3HD2 LEU 24 -4.217 0.493 4.412 212 3HD2 LEU 24 2HD2 LEU 24 -4.943 -0.112 2.922 213 H ALA 25 H ALA 25 -4.011 -4.404 7.413 214 HA ALA 25 HA ALA 25 -4.727 -6.323 8.561 215 1HB ALA 25 2HB ALA 25 -6.632 -4.359 9.150 216 2HB ALA 25 1HB ALA 25 -7.580 -5.750 8.620 217 3HB ALA 25 3HB ALA 25 -6.449 -5.914 9.964 218 H LEU 26 H LEU 26 -4.435 -6.546 5.860 219 HA LEU 26 HA LEU 26 -6.810 -7.554 4.539 220 1HB LEU 26 2HB LEU 26 -3.928 -8.137 3.788 221 2HB LEU 26 1HB LEU 26 -5.336 -8.103 2.727 222 HG LEU 26 HG LEU 26 -4.292 -5.694 4.237 223 1HD1 LEU 26 1HD1 LEU 26 -3.999 -6.556 1.351 224 2HD1 LEU 26 3HD1 LEU 26 -3.679 -4.916 1.918 225 3HD1 LEU 26 2HD1 LEU 26 -2.705 -6.261 2.514 226 1HD2 LEU 26 2HD2 LEU 26 -6.804 -6.265 3.065 227 2HD2 LEU 26 1HD2 LEU 26 -6.223 -4.702 3.637 228 3HD2 LEU 26 3HD2 LEU 26 -5.978 -5.171 1.955 229 HA PRO 27 HA PRO 27 -6.826 -11.702 5.914 230 1HB PRO 27 2HB PRO 27 -7.458 -13.071 3.615 231 2HB PRO 27 1HB PRO 27 -8.616 -12.079 4.524 232 1HG PRO 27 2HG PRO 27 -7.235 -11.468 1.950 233 2HG PRO 27 1HG PRO 27 -8.804 -10.895 2.545 234 1HD PRO 27 2HD PRO 27 -6.397 -9.437 2.549 235 2HD PRO 27 1HD PRO 27 -7.860 -9.016 3.464 236 H GLU 28 H GLU 28 -6.084 -14.076 4.975 237 HA GLU 28 HA GLU 28 -3.172 -13.899 4.845 238 1HB GLU 28 2HB GLU 28 -4.252 -15.646 6.189 239 2HB GLU 28 1HB GLU 28 -5.034 -16.292 4.744 240 1HG GLU 28 2HG GLU 28 -2.545 -16.378 3.837 241 2HG GLU 28 1HG GLU 28 -2.154 -16.417 5.557 242 H TYR 29 H TYR 29 -5.776 -14.944 2.640 243 HA TYR 29 HA TYR 29 -3.931 -15.789 0.577 244 1HB TYR 29 2HB TYR 29 -6.027 -15.646 -0.890 245 2HB TYR 29 1HB TYR 29 -6.089 -16.763 0.477 246 HD1 TYR 29 HD2 TYR 29 -6.765 -13.137 -0.265 247 HD2 TYR 29 HD1 TYR 29 -7.958 -16.684 1.848 248 HE1 TYR 29 HE2 TYR 29 -8.760 -11.950 0.610 249 HE2 TYR 29 HE1 TYR 29 -9.950 -15.494 2.724 250 HH TYR 29 HH TYR 29 -10.613 -13.103 3.165 251 H TYR 30 H TYR 30 -4.530 -12.753 1.735 252 HA TYR 30 HA TYR 30 -5.002 -10.961 -0.271 253 1HB TYR 30 2HB TYR 30 -4.268 -10.279 1.969 254 2HB TYR 30 1HB TYR 30 -2.645 -10.882 1.639 255 HD1 TYR 30 HD1 TYR 30 -4.685 -9.230 -0.946 256 HD2 TYR 30 HD2 TYR 30 -1.564 -8.731 1.963 257 HE1 TYR 30 HE1 TYR 30 -4.090 -7.044 -1.955 258 HE2 TYR 30 HE2 TYR 30 -0.967 -6.551 0.953 259 HH TYR 30 HH TYR 30 -1.417 -5.078 -0.633 260 H GLY 31 H GLY 31 -4.418 -11.182 -2.381 261 1HA GLY 31 2HA GLY 31 -2.153 -12.612 -3.331 262 2HA GLY 31 1HA GLY 31 -3.063 -11.431 -4.279 263 H GLU 32 H GLU 32 -2.534 -9.235 -2.407 264 HA GLU 32 HA GLU 32 -0.823 -7.729 -1.787 265 1HB GLU 32 2HB GLU 32 1.323 -8.461 -1.503 266 2HB GLU 32 1HB GLU 32 0.596 -10.046 -1.754 267 1HG GLU 32 2HG GLU 32 1.045 -9.380 -4.327 268 2HG GLU 32 1HG GLU 32 2.334 -8.444 -3.569 269 H ASN 33 H ASN 33 -1.384 -9.017 -4.927 270 HA ASN 33 HA ASN 33 0.138 -6.995 -6.360 271 1HB ASN 33 2HB ASN 33 -2.151 -8.289 -7.680 272 2HB ASN 33 1HB ASN 33 -0.518 -8.048 -8.273 273 1HD2 ASN 33 2HD2 ASN 33 -1.440 -11.466 -6.230 274 2HD2 ASN 33 1HD2 ASN 33 -2.557 -10.190 -6.309 275 H LEU 34 H LEU 34 -1.281 -5.664 -8.059 276 HA LEU 34 HA LEU 34 -2.825 -3.817 -6.459 277 1HB LEU 34 2HB LEU 34 -3.480 -2.970 -8.875 278 2HB LEU 34 1HB LEU 34 -1.844 -2.731 -8.267 279 HG LEU 34 HG LEU 34 -2.338 -5.314 -9.635 280 1HD1 LEU 34 3HD1 LEU 34 -3.617 -3.645 -11.015 281 2HD1 LEU 34 2HD1 LEU 34 -2.122 -2.730 -11.207 282 3HD1 LEU 34 1HD1 LEU 34 -2.248 -4.362 -11.866 283 1HD2 LEU 34 2HD2 LEU 34 -0.157 -3.870 -8.746 284 2HD2 LEU 34 1HD2 LEU 34 -0.083 -5.200 -9.902 285 3HD2 LEU 34 3HD2 LEU 34 -0.151 -3.534 -10.478 286 H ASP 35 H ASP 35 -3.601 -6.795 -7.848 287 HA ASP 35 HA ASP 35 -6.395 -6.176 -8.440 288 1HB ASP 35 2HB ASP 35 -6.384 -8.853 -8.251 289 2HB ASP 35 1HB ASP 35 -5.899 -8.006 -9.715 290 H ALA 36 H ALA 36 -4.751 -8.202 -5.974 291 HA ALA 36 HA ALA 36 -7.172 -8.488 -4.412 292 1HB ALA 36 1HB ALA 36 -4.867 -9.877 -4.459 293 2HB ALA 36 3HB ALA 36 -4.520 -8.806 -3.102 294 3HB ALA 36 2HB ALA 36 -5.928 -9.868 -3.050 295 H LEU 37 H LEU 37 -4.466 -6.323 -4.437 296 HA LEU 37 HA LEU 37 -5.014 -5.023 -1.916 297 1HB LEU 37 2HB LEU 37 -2.821 -4.847 -3.012 298 2HB LEU 37 1HB LEU 37 -3.566 -4.014 -4.374 299 HG LEU 37 HG LEU 37 -4.404 -2.665 -2.019 300 1HD1 LEU 37 1HD1 LEU 37 -1.496 -3.455 -2.068 301 2HD1 LEU 37 3HD1 LEU 37 -1.986 -1.909 -1.375 302 3HD1 LEU 37 2HD1 LEU 37 -2.608 -3.415 -0.700 303 1HD2 LEU 37 3HD2 LEU 37 -3.531 -2.091 -4.578 304 2HD2 LEU 37 2HD2 LEU 37 -3.893 -0.890 -3.341 305 3HD2 LEU 37 1HD2 LEU 37 -2.236 -1.438 -3.576 306 H TRP 38 H TRP 38 -5.589 -4.012 -5.299 307 HA TRP 38 HA TRP 38 -7.181 -1.735 -4.694 308 1HB TRP 38 2HB TRP 38 -6.356 -2.185 -6.953 309 2HB TRP 38 1HB TRP 38 -7.251 -3.693 -6.999 310 HD1 TRP 38 HD1 TRP 38 -9.228 -3.532 -8.441 311 HE1 TRP 38 HE1 TRP 38 -11.005 -1.765 -9.043 312 HE3 TRP 38 HE3 TRP 38 -7.565 0.392 -5.626 313 HZ2 TRP 38 HZ2 TRP 38 -11.621 0.955 -8.430 314 HZ3 TRP 38 HZ3 TRP 38 -8.742 2.560 -5.680 315 HH2 TRP 38 HH2 TRP 38 -10.776 2.847 -7.067 316 H ASP 39 H ASP 39 -7.934 -5.127 -5.062 317 HA ASP 39 HA ASP 39 -10.771 -4.915 -4.762 318 1HB ASP 39 2HB ASP 39 -8.768 -7.065 -4.679 319 2HB ASP 39 1HB ASP 39 -10.161 -7.350 -3.634 320 H ALA 40 H ALA 40 -8.121 -4.968 -2.494 321 HA ALA 40 HA ALA 40 -9.889 -5.264 -0.168 322 1HB ALA 40 3HB ALA 40 -7.382 -5.948 -0.323 323 2HB ALA 40 2HB ALA 40 -7.060 -4.239 -0.024 324 3HB ALA 40 1HB ALA 40 -7.956 -5.188 1.162 325 H LEU 41 H LEU 41 -7.572 -2.662 -0.952 326 HA LEU 41 HA LEU 41 -8.434 -0.620 0.602 327 1HB LEU 41 2HB LEU 41 -7.470 -0.660 -2.209 328 2HB LEU 41 1HB LEU 41 -8.172 0.846 -1.622 329 HG LEU 41 HG LEU 41 -6.213 -0.513 0.164 330 1HD1 LEU 41 3HD1 LEU 41 -5.290 -0.603 -2.220 331 2HD1 LEU 41 2HD1 LEU 41 -5.293 1.162 -2.189 332 3HD1 LEU 41 1HD1 LEU 41 -4.293 0.257 -1.044 333 1HD2 LEU 41 1HD2 LEU 41 -7.386 1.646 0.700 334 2HD2 LEU 41 3HD2 LEU 41 -5.624 1.765 0.719 335 3HD2 LEU 41 2HD2 LEU 41 -6.539 2.384 -0.661 336 H THR 42 H THR 42 -9.789 -0.948 -2.645 337 HA THR 42 HA THR 42 -12.181 0.536 -1.786 338 HB THR 42 HB THR 42 -11.174 0.890 -4.042 339 HG1 THR 42 HG1 THR 42 -13.662 -0.243 -4.548 340 1HG2 THR 42 3HG2 THR 42 -11.535 -2.014 -4.114 341 2HG2 THR 42 2HG2 THR 42 -12.169 -1.203 -5.546 342 3HG2 THR 42 1HG2 THR 42 -10.479 -0.988 -5.085 343 H GLY 43 H GLY 43 -12.170 -1.651 -0.235 344 1HA GLY 43 2HA GLY 43 -14.591 -2.853 -0.340 345 2HA GLY 43 1HA GLY 43 -13.692 -3.824 -1.508 346 H TRP 44 H TRP 44 -12.266 -2.420 1.442 347 HA TRP 44 HA TRP 44 -12.530 -4.769 3.073 348 1HB TRP 44 2HB TRP 44 -11.068 -5.824 1.420 349 2HB TRP 44 1HB TRP 44 -9.927 -4.485 1.553 350 HD1 TRP 44 HD1 TRP 44 -9.002 -4.069 4.186 351 HE1 TRP 44 HE1 TRP 44 -8.224 -5.859 5.865 352 HE3 TRP 44 HE3 TRP 44 -11.229 -8.198 2.168 353 HZ2 TRP 44 HZ2 TRP 44 -8.505 -8.676 6.298 354 HZ3 TRP 44 HZ3 TRP 44 -10.956 -10.420 3.233 355 HH2 TRP 44 HH2 TRP 44 -9.599 -10.663 5.293 356 H VAL 45 H VAL 45 -10.546 -2.030 2.139 357 HA VAL 45 HA VAL 45 -9.476 -1.626 4.821 358 HB VAL 45 HB VAL 45 -9.302 -0.280 2.157 359 1HG1 VAL 45 1HG1 VAL 45 -8.541 1.018 4.780 360 2HG1 VAL 45 3HG1 VAL 45 -8.028 1.588 3.192 361 3HG1 VAL 45 2HG1 VAL 45 -9.739 1.596 3.622 362 1HG2 VAL 45 1HG2 VAL 45 -7.360 -1.314 4.233 363 2HG2 VAL 45 3HG2 VAL 45 -7.659 -1.960 2.619 364 3HG2 VAL 45 2HG2 VAL 45 -6.842 -0.409 2.810 365 H GLU 46 H GLU 46 -9.867 0.481 5.971 366 HA GLU 46 HA GLU 46 -12.716 1.334 5.657 367 1HB GLU 46 2HB GLU 46 -12.288 0.197 7.796 368 2HB GLU 46 1HB GLU 46 -10.970 1.319 8.140 369 1HG GLU 46 2HG GLU 46 -12.485 3.187 8.253 370 2HG GLU 46 1HG GLU 46 -13.823 2.208 7.646 371 H TYR 47 H TYR 47 -13.001 3.432 5.082 372 HA TYR 47 HA TYR 47 -10.648 5.253 5.271 373 1HB TYR 47 2HB TYR 47 -13.135 5.480 3.548 374 2HB TYR 47 1HB TYR 47 -11.708 6.514 3.453 375 HD1 TYR 47 HD2 TYR 47 -9.444 4.718 3.656 376 HD2 TYR 47 HD1 TYR 47 -13.203 4.123 1.645 377 HE1 TYR 47 HE2 TYR 47 -8.376 3.074 2.134 378 HE2 TYR 47 HE1 TYR 47 -12.120 2.489 0.126 379 HH TYR 47 HH TYR 47 -9.177 1.097 0.723 380 HA PRO 48 HA PRO 48 -10.894 7.681 4.528 381 1HB PRO 48 2HB PRO 48 -9.745 9.612 6.114 382 2HB PRO 48 1HB PRO 48 -11.224 9.856 5.164 383 1HG PRO 48 2HG PRO 48 -10.929 9.406 8.108 384 2HG PRO 48 1HG PRO 48 -12.162 10.329 7.230 385 1HD PRO 48 2HD PRO 48 -12.542 7.763 8.275 386 2HD PRO 48 1HD PRO 48 -13.531 8.493 6.989 387 H LEU 49 H LEU 49 -8.902 6.854 4.169 388 HA LEU 49 HA LEU 49 -7.474 5.619 6.473 389 1HB LEU 49 2HB LEU 49 -7.850 3.971 4.858 390 2HB LEU 49 1HB LEU 49 -7.628 5.095 3.521 391 HG LEU 49 HG LEU 49 -5.164 5.229 4.256 392 1HD1 LEU 49 3HD1 LEU 49 -5.776 4.074 6.498 393 2HD1 LEU 49 2HD1 LEU 49 -5.790 2.581 5.562 394 3HD1 LEU 49 1HD1 LEU 49 -4.313 3.535 5.676 395 1HD2 LEU 49 2HD2 LEU 49 -6.635 3.184 2.788 396 2HD2 LEU 49 1HD2 LEU 49 -5.132 4.008 2.364 397 3HD2 LEU 49 3HD2 LEU 49 -5.096 2.585 3.407 398 H VAL 50 H VAL 50 -5.072 5.793 6.449 399 HA VAL 50 HA VAL 50 -4.143 8.334 5.167 400 HB VAL 50 HB VAL 50 -3.955 7.372 7.981 401 1HG1 VAL 50 1HG1 VAL 50 -1.636 8.585 6.484 402 2HG1 VAL 50 3HG1 VAL 50 -1.867 8.914 8.202 403 3HG1 VAL 50 2HG1 VAL 50 -1.627 7.258 7.647 404 1HG2 VAL 50 1HG2 VAL 50 -5.250 9.385 7.011 405 2HG2 VAL 50 3HG2 VAL 50 -4.286 9.663 8.463 406 3HG2 VAL 50 2HG2 VAL 50 -3.674 10.167 6.887 407 H LEU 51 H LEU 51 -3.118 7.305 3.404 408 HA LEU 51 HA LEU 51 -1.302 5.037 3.896 409 1HB LEU 51 2HB LEU 51 -2.643 5.114 1.826 410 2HB LEU 51 1HB LEU 51 -1.874 6.646 1.388 411 HG LEU 51 HG LEU 51 0.353 5.249 1.666 412 1HD1 LEU 51 3HD1 LEU 51 -1.528 3.240 2.133 413 2HD1 LEU 51 2HD1 LEU 51 -1.020 2.981 0.456 414 3HD1 LEU 51 1HD1 LEU 51 0.178 3.001 1.758 415 1HD2 LEU 51 1HD2 LEU 51 -1.054 6.208 -0.410 416 2HD2 LEU 51 3HD2 LEU 51 0.426 5.275 -0.614 417 3HD2 LEU 51 2HD2 LEU 51 -1.146 4.482 -0.768 418 H GLU 52 H GLU 52 -0.159 6.739 5.450 419 HA GLU 52 HA GLU 52 1.461 8.803 4.314 420 1HB GLU 52 2HB GLU 52 1.077 8.720 6.710 421 2HB GLU 52 1HB GLU 52 1.836 7.130 6.814 422 1HG GLU 52 2HG GLU 52 3.964 7.980 6.623 423 2HG GLU 52 1HG GLU 52 3.450 9.317 5.593 424 H TRP 53 H TRP 53 2.406 7.815 2.368 425 HA TRP 53 HA TRP 53 4.172 5.509 2.708 426 1HB TRP 53 2HB TRP 53 2.853 6.300 0.550 427 2HB TRP 53 1HB TRP 53 4.321 7.243 0.274 428 HD1 TRP 53 HD1 TRP 53 6.642 5.547 0.941 429 HE1 TRP 53 HE1 TRP 53 7.112 3.234 -0.092 430 HE3 TRP 53 HE3 TRP 53 1.963 4.347 -0.689 431 HZ2 TRP 53 HZ2 TRP 53 5.682 1.155 -1.430 432 HZ3 TRP 53 HZ3 TRP 53 1.534 2.201 -1.833 433 HH2 TRP 53 HH2 TRP 53 3.394 0.592 -2.204 434 H ARG 54 H ARG 54 6.223 5.679 3.458 435 HA ARG 54 HA ARG 54 7.551 8.348 3.322 436 1HB ARG 54 2HB ARG 54 8.574 6.029 4.946 437 2HB ARG 54 1HB ARG 54 8.780 7.757 5.230 438 1HG ARG 54 2HG ARG 54 6.315 7.916 5.678 439 2HG ARG 54 1HG ARG 54 6.226 6.159 5.557 440 1HD ARG 54 2HD ARG 54 6.437 6.889 7.913 441 2HD ARG 54 1HD ARG 54 7.832 5.935 7.407 442 HE ARG 54 HE ARG 54 9.109 8.043 7.236 443 1HH1 ARG 54 1HH2 ARG 54 6.448 9.669 7.127 444 2HH1 ARG 54 2HH2 ARG 54 6.534 10.481 8.654 445 1HH2 ARG 54 2HH1 ARG 54 9.041 8.435 9.900 446 2HH2 ARG 54 1HH1 ARG 54 8.004 9.783 10.225 447 H GLN 55 H GLN 55 9.715 8.470 2.510 448 HA GLN 55 HA GLN 55 11.479 7.885 1.081 449 1HB GLN 55 2HB GLN 55 10.703 5.133 2.081 450 2HB GLN 55 1HB GLN 55 12.098 5.433 1.044 451 1HG GLN 55 2HG GLN 55 11.668 6.871 3.671 452 2HG GLN 55 1HG GLN 55 12.598 5.377 3.537 453 1HE2 GLN 55 2HE2 GLN 55 15.235 7.831 3.138 454 2HE2 GLN 55 1HE2 GLN 55 14.372 7.001 4.343 455 H PHE 56 H PHE 56 9.743 4.892 0.440 456 HA PHE 56 HA PHE 56 8.385 4.266 -1.394 457 1HB PHE 56 2HB PHE 56 7.601 6.685 -1.478 458 2HB PHE 56 1HB PHE 56 8.927 6.992 -2.599 459 HD1 PHE 56 HD2 PHE 56 6.137 4.536 -2.092 460 HD2 PHE 56 HD1 PHE 56 8.530 6.754 -4.878 461 HE1 PHE 56 HE2 PHE 56 4.785 3.641 -3.959 462 HE2 PHE 56 HE1 PHE 56 7.180 5.863 -6.749 463 HZ PHE 56 HZ PHE 56 5.303 4.305 -6.294 464 H GLU 57 H GLU 57 11.204 6.301 -2.247 465 HA GLU 57 HA GLU 57 11.877 5.026 -4.671 466 1HB GLU 57 2HB GLU 57 13.726 6.196 -2.567 467 2HB GLU 57 1HB GLU 57 14.195 5.816 -4.225 468 1HG GLU 57 2HG GLU 57 13.414 7.813 -4.900 469 2HG GLU 57 1HG GLU 57 11.803 7.368 -4.337 470 H GLN 58 H GLN 58 13.064 4.261 -1.377 471 HA GLN 58 HA GLN 58 14.468 1.889 -2.274 472 1HB GLN 58 2HB GLN 58 14.615 1.377 0.176 473 2HB GLN 58 1HB GLN 58 15.196 2.989 -0.240 474 1HG GLN 58 2HG GLN 58 12.530 3.466 0.211 475 2HG GLN 58 1HG GLN 58 12.867 2.192 1.383 476 1HE2 GLN 58 2HE2 GLN 58 15.140 5.614 1.717 477 2HE2 GLN 58 1HE2 GLN 58 14.743 5.037 0.170 478 H SER 59 H SER 59 13.823 -0.263 -2.110 479 HA SER 59 HA SER 59 12.365 -2.096 -1.741 480 1HB SER 59 2HB SER 59 11.459 -0.618 0.196 481 2HB SER 59 1HB SER 59 10.180 -0.179 -0.938 482 HG SER 59 HG SER 59 10.917 -2.855 -0.352 483 H LYS 60 H LYS 60 11.517 0.781 -3.492 484 HA LYS 60 HA LYS 60 9.377 -0.475 -5.039 485 1HB LYS 60 2HB LYS 60 9.386 1.947 -4.635 486 2HB LYS 60 1HB LYS 60 10.938 2.085 -5.469 487 1HG LYS 60 2HG LYS 60 9.551 0.813 -7.389 488 2HG LYS 60 1HG LYS 60 8.212 1.641 -6.593 489 1HD LYS 60 2HD LYS 60 8.816 3.616 -7.489 490 2HD LYS 60 1HD LYS 60 10.469 3.431 -6.897 491 1HE LYS 60 2HE LYS 60 11.221 2.514 -8.870 492 2HE LYS 60 1HE LYS 60 9.668 1.764 -9.236 493 1HZ LYS 60 2HZ LYS 60 9.965 4.698 -9.253 494 2HZ LYS 60 1HZ LYS 60 10.411 3.778 -10.610 495 3HZ LYS 60 3HZ LYS 60 8.811 3.737 -10.048 496 H GLN 61 H GLN 61 12.738 0.536 -5.668 497 HA GLN 61 HA GLN 61 12.740 -0.691 -8.328 498 1HB GLN 61 2HB GLN 61 14.914 0.518 -6.606 499 2HB GLN 61 1HB GLN 61 15.194 -0.101 -8.234 500 1HG GLN 61 2HG GLN 61 13.777 1.534 -9.218 501 2HG GLN 61 1HG GLN 61 13.064 1.964 -7.662 502 1HE2 GLN 61 2HE2 GLN 61 16.993 3.075 -7.822 503 2HE2 GLN 61 1HE2 GLN 61 16.553 1.452 -8.056 504 H LEU 62 H LEU 62 13.243 -1.679 -5.145 505 HA LEU 62 HA LEU 62 15.142 -3.805 -5.609 506 1HB LEU 62 2HB LEU 62 13.191 -3.214 -3.368 507 2HB LEU 62 1HB LEU 62 14.307 -4.582 -3.337 508 HG LEU 62 HG LEU 62 16.224 -3.104 -3.431 509 1HD1 LEU 62 1HD1 LEU 62 14.160 -0.907 -3.799 510 2HD1 LEU 62 3HD1 LEU 62 15.845 -0.598 -3.381 511 3HD1 LEU 62 2HD1 LEU 62 15.446 -1.364 -4.916 512 1HD2 LEU 62 3HD2 LEU 62 15.084 -3.457 -1.226 513 2HD2 LEU 62 2HD2 LEU 62 15.963 -1.931 -1.318 514 3HD2 LEU 62 1HD2 LEU 62 14.208 -1.949 -1.489 515 H THR 63 H THR 63 11.987 -3.395 -6.574 516 HA THR 63 HA THR 63 11.621 -6.340 -6.862 517 HB THR 63 HB THR 63 10.191 -5.314 -5.021 518 HG1 THR 63 HG1 THR 63 9.679 -7.164 -6.592 519 1HG2 THR 63 3HG2 THR 63 9.790 -3.329 -6.877 520 2HG2 THR 63 2HG2 THR 63 8.292 -4.253 -6.980 521 3HG2 THR 63 1HG2 THR 63 8.806 -3.581 -5.435 522 H GLU 64 H GLU 64 8.928 -5.522 -8.144 523 HA GLU 64 HA GLU 64 10.073 -4.460 -10.695 524 1HB GLU 64 2HB GLU 64 8.149 -5.919 -11.721 525 2HB GLU 64 1HB GLU 64 9.656 -6.701 -11.238 526 1HG GLU 64 2HG GLU 64 8.594 -7.180 -9.000 527 2HG GLU 64 1HG GLU 64 7.070 -6.588 -9.662 528 H ASN 65 H ASN 65 7.311 -4.654 -8.519 529 HA ASN 65 HA ASN 65 6.428 -2.004 -9.069 530 1HB ASN 65 2HB ASN 65 5.827 -3.418 -11.236 531 2HB ASN 65 1HB ASN 65 4.466 -3.944 -10.245 532 1HD2 ASN 65 2HD2 ASN 65 2.785 -1.023 -11.312 533 2HD2 ASN 65 1HD2 ASN 65 2.803 -2.720 -11.287 534 H GLY 66 H GLY 66 6.804 -3.213 -6.721 535 1HA GLY 66 2HA GLY 66 4.188 -4.228 -5.752 536 2HA GLY 66 1HA GLY 66 5.710 -4.271 -4.852 537 H ALA 67 H ALA 67 6.630 -1.786 -4.819 538 HA ALA 67 HA ALA 67 4.756 -0.378 -3.094 539 1HB ALA 67 3HB ALA 67 7.532 0.169 -4.120 540 2HB ALA 67 2HB ALA 67 6.621 1.447 -3.314 541 3HB ALA 67 1HB ALA 67 6.992 -0.049 -2.456 542 H GLU 68 H GLU 68 5.905 -0.010 -6.422 543 HA GLU 68 HA GLU 68 4.637 2.542 -6.818 544 1HB GLU 68 2HB GLU 68 6.476 0.997 -8.217 545 2HB GLU 68 1HB GLU 68 5.045 0.986 -9.247 546 1HG GLU 68 2HG GLU 68 5.870 3.590 -8.034 547 2HG GLU 68 1HG GLU 68 6.824 2.968 -9.381 548 H SER 69 H SER 69 3.703 -0.822 -7.439 549 HA SER 69 HA SER 69 1.272 -0.054 -8.844 550 1HB SER 69 2HB SER 69 0.868 -2.345 -9.080 551 2HB SER 69 1HB SER 69 2.624 -2.304 -8.953 552 HG SER 69 HG SER 69 1.853 -3.830 -7.521 553 H VAL 70 H VAL 70 1.928 -1.303 -5.529 554 HA VAL 70 HA VAL 70 -0.737 -1.335 -4.651 555 HB VAL 70 HB VAL 70 1.726 -0.441 -3.108 556 1HG1 VAL 70 1HG1 VAL 70 -1.130 -0.432 -2.451 557 2HG1 VAL 70 3HG1 VAL 70 -0.183 -1.368 -1.303 558 3HG1 VAL 70 2HG1 VAL 70 0.210 0.329 -1.588 559 1HG2 VAL 70 2HG2 VAL 70 1.127 -2.949 -4.059 560 2HG2 VAL 70 1HG2 VAL 70 2.082 -2.647 -2.608 561 3HG2 VAL 70 3HG2 VAL 70 0.357 -2.991 -2.473 562 H LEU 71 H LEU 71 1.563 1.226 -5.164 563 HA LEU 71 HA LEU 71 -0.065 3.232 -3.952 564 1HB LEU 71 2HB LEU 71 2.456 3.343 -4.383 565 2HB LEU 71 1HB LEU 71 2.037 3.748 -6.048 566 HG LEU 71 HG LEU 71 0.978 5.754 -5.416 567 1HD1 LEU 71 3HD1 LEU 71 0.766 4.415 -2.756 568 2HD1 LEU 71 2HD1 LEU 71 0.825 6.181 -2.790 569 3HD1 LEU 71 1HD1 LEU 71 -0.458 5.322 -3.657 570 1HD2 LEU 71 1HD2 LEU 71 3.557 5.489 -5.001 571 2HD2 LEU 71 3HD2 LEU 71 2.735 6.959 -4.478 572 3HD2 LEU 71 2HD2 LEU 71 3.106 5.692 -3.308 573 H GLN 72 H GLN 72 0.404 2.182 -7.334 574 HA GLN 72 HA GLN 72 -1.214 4.172 -8.527 575 1HB GLN 72 2HB GLN 72 -0.488 1.365 -9.207 576 2HB GLN 72 1HB GLN 72 -1.878 2.051 -10.048 577 1HG GLN 72 2HG GLN 72 -0.422 4.053 -10.604 578 2HG GLN 72 1HG GLN 72 0.949 3.130 -9.987 579 1HE2 GLN 72 2HE2 GLN 72 0.382 0.569 -12.649 580 2HE2 GLN 72 1HE2 GLN 72 0.390 0.553 -10.952 581 H VAL 73 H VAL 73 -2.034 1.328 -6.711 582 HA VAL 73 HA VAL 73 -4.902 1.511 -7.243 583 HB VAL 73 HB VAL 73 -3.298 -0.127 -5.270 584 1HG1 VAL 73 2HG1 VAL 73 -5.770 0.426 -4.692 585 2HG1 VAL 73 1HG1 VAL 73 -6.154 -0.616 -6.059 586 3HG1 VAL 73 3HG1 VAL 73 -5.272 -1.265 -4.683 587 1HG2 VAL 73 1HG2 VAL 73 -3.550 -0.304 -8.015 588 2HG2 VAL 73 3HG2 VAL 73 -3.126 -1.647 -6.951 589 3HG2 VAL 73 2HG2 VAL 73 -4.807 -1.407 -7.449 590 H PHE 74 H PHE 74 -2.838 2.210 -4.404 591 HA PHE 74 HA PHE 74 -4.819 2.983 -2.613 592 1HB PHE 74 2HB PHE 74 -1.945 3.546 -3.014 593 2HB PHE 74 1HB PHE 74 -2.816 4.759 -2.097 594 HD1 PHE 74 HD1 PHE 74 -3.907 4.201 0.036 595 HD2 PHE 74 HD2 PHE 74 -1.672 1.291 -2.173 596 HE1 PHE 74 HE1 PHE 74 -3.869 2.711 2.006 597 HE2 PHE 74 HE2 PHE 74 -1.643 -0.198 -0.195 598 HZ PHE 74 HZ PHE 74 -2.758 0.529 1.884 599 H ARG 75 H ARG 75 -2.982 4.932 -4.921 600 HA ARG 75 HA ARG 75 -4.460 7.339 -4.619 601 1HB ARG 75 2HB ARG 75 -2.706 6.180 -6.759 602 2HB ARG 75 1HB ARG 75 -3.676 7.602 -7.144 603 1HG ARG 75 2HG ARG 75 -2.729 8.704 -5.080 604 2HG ARG 75 1HG ARG 75 -1.633 7.331 -4.926 605 1HD ARG 75 2HD ARG 75 -0.437 9.042 -6.119 606 2HD ARG 75 1HD ARG 75 -0.870 7.803 -7.298 607 HE ARG 75 HE ARG 75 -2.813 9.329 -7.917 608 1HH1 ARG 75 1HH2 ARG 75 -0.982 10.855 -5.576 609 2HH1 ARG 75 2HH2 ARG 75 -0.710 12.311 -6.474 610 1HH2 ARG 75 2HH1 ARG 75 -2.041 11.055 -9.420 611 2HH2 ARG 75 1HH1 ARG 75 -1.310 12.424 -8.651 612 H GLU 76 H GLU 76 -4.920 4.504 -6.792 613 HA GLU 76 HA GLU 76 -7.105 5.555 -8.290 614 1HB GLU 76 2HB GLU 76 -6.211 2.816 -7.497 615 2HB GLU 76 1HB GLU 76 -7.838 2.996 -8.149 616 1HG GLU 76 2HG GLU 76 -5.267 3.878 -9.477 617 2HG GLU 76 1HG GLU 76 -6.290 2.530 -9.966 618 H ALA 77 H ALA 77 -6.903 4.439 -5.013 619 HA ALA 77 HA ALA 77 -9.790 4.155 -4.644 620 1HB ALA 77 1HB ALA 77 -7.956 2.896 -3.356 621 2HB ALA 77 3HB ALA 77 -7.661 4.409 -2.497 622 3HB ALA 77 2HB ALA 77 -9.230 3.614 -2.368 623 H LYS 78 H LYS 78 -7.328 6.476 -3.391 624 HA LYS 78 HA LYS 78 -9.302 8.259 -2.326 625 1HB LYS 78 2HB LYS 78 -7.346 9.892 -2.418 626 2HB LYS 78 1HB LYS 78 -7.079 8.431 -1.474 627 1HG LYS 78 2HG LYS 78 -5.306 7.946 -2.766 628 2HG LYS 78 1HG LYS 78 -6.369 7.859 -4.170 629 1HD LYS 78 2HD LYS 78 -4.493 9.534 -4.398 630 2HD LYS 78 1HD LYS 78 -6.106 10.218 -4.608 631 1HE LYS 78 2HE LYS 78 -6.058 11.315 -2.559 632 2HE LYS 78 1HE LYS 78 -4.895 10.186 -1.866 633 1HZ LYS 78 3HZ LYS 78 -3.240 11.103 -3.456 634 2HZ LYS 78 2HZ LYS 78 -4.369 12.300 -3.879 635 3HZ LYS 78 1HZ LYS 78 -3.771 12.216 -2.291 636 H ALA 79 H ALA 79 -8.456 7.498 -5.500 637 HA ALA 79 HA ALA 79 -9.103 10.171 -6.606 638 1HB ALA 79 1HB ALA 79 -7.327 8.366 -7.482 639 2HB ALA 79 3HB ALA 79 -8.750 7.747 -8.326 640 3HB ALA 79 2HB ALA 79 -8.206 9.406 -8.602 641 H GLU 80 H GLU 80 -10.076 6.876 -7.437 642 HA GLU 80 HA GLU 80 -12.448 7.438 -8.750 643 1HB GLU 80 2HB GLU 80 -12.000 5.076 -6.908 644 2HB GLU 80 1HB GLU 80 -13.082 5.161 -8.295 645 1HG GLU 80 2HG GLU 80 -10.345 5.899 -8.986 646 2HG GLU 80 1HG GLU 80 -10.468 4.252 -8.363 647 H GLY 81 H GLY 81 -12.303 6.437 -5.279 648 1HA GLY 81 2HA GLY 81 -14.297 8.495 -4.631 649 2HA GLY 81 1HA GLY 81 -14.938 6.851 -4.577 650 H ALA 82 H ALA 82 -12.513 5.617 -3.609 651 HA ALA 82 HA ALA 82 -12.845 5.525 -0.898 652 1HB ALA 82 3HB ALA 82 -10.981 4.511 -2.598 653 2HB ALA 82 2HB ALA 82 -9.997 5.652 -1.679 654 3HB ALA 82 1HB ALA 82 -10.880 4.374 -0.843 655 H ASP 83 H ASP 83 -11.946 6.596 0.928 656 HA ASP 83 HA ASP 83 -11.098 9.411 0.391 657 1HB ASP 83 2HB ASP 83 -12.610 8.090 2.634 658 2HB ASP 83 1HB ASP 83 -11.702 9.568 2.953 659 H ILE 84 H ILE 84 -9.040 7.929 -0.041 660 HA ILE 84 HA ILE 84 -7.616 7.347 2.496 661 HB ILE 84 HB ILE 84 -7.093 6.647 -0.399 662 1HG1 ILE 84 2HG1 ILE 84 -7.189 4.662 1.793 663 2HG1 ILE 84 1HG1 ILE 84 -8.711 5.464 1.406 664 1HG2 ILE 84 1HG2 ILE 84 -4.978 7.188 0.958 665 2HG2 ILE 84 3HG2 ILE 84 -5.409 5.807 1.965 666 3HG2 ILE 84 2HG2 ILE 84 -5.059 5.578 0.248 667 1HD1 ILE 84 2HD1 ILE 84 -6.971 4.316 -0.764 668 2HD1 ILE 84 1HD1 ILE 84 -8.113 3.300 0.113 669 3HD1 ILE 84 3HD1 ILE 84 -8.694 4.683 -0.810 670 H THR 85 H THR 85 -5.476 8.153 2.834 671 HA THR 85 HA THR 85 -4.966 10.764 1.484 672 HB THR 85 HB THR 85 -3.649 9.870 4.045 673 HG1 THR 85 HG1 THR 85 -5.513 11.242 4.907 674 1HG2 THR 85 1HG2 THR 85 -3.901 12.311 2.447 675 2HG2 THR 85 3HG2 THR 85 -4.269 12.566 4.153 676 3HG2 THR 85 2HG2 THR 85 -2.710 11.893 3.678 677 H ILE 86 H ILE 86 -3.855 9.835 -0.308 678 HA ILE 86 HA ILE 86 -1.667 7.967 0.095 679 HB ILE 86 HB ILE 86 -3.037 9.258 -2.179 680 1HG1 ILE 86 2HG1 ILE 86 -2.979 7.071 -3.068 681 2HG1 ILE 86 1HG1 ILE 86 -1.556 6.630 -2.132 682 1HG2 ILE 86 2HG2 ILE 86 -0.063 8.893 -2.160 683 2HG2 ILE 86 1HG2 ILE 86 -0.950 8.484 -3.627 684 3HG2 ILE 86 3HG2 ILE 86 -1.035 10.119 -2.974 685 1HD1 ILE 86 3HD1 ILE 86 -3.661 7.414 -0.327 686 2HD1 ILE 86 2HD1 ILE 86 -4.279 6.210 -1.452 687 3HD1 ILE 86 1HD1 ILE 86 -2.860 5.845 -0.464 688 H ILE 87 H ILE 87 -0.048 8.805 1.339 689 HA ILE 87 HA ILE 87 0.973 11.526 0.730 690 HB ILE 87 HB ILE 87 2.122 9.708 2.831 691 1HG1 ILE 87 2HG1 ILE 87 -0.498 11.226 2.921 692 2HG1 ILE 87 1HG1 ILE 87 -0.227 9.520 3.274 693 1HG2 ILE 87 1HG2 ILE 87 2.554 12.353 2.006 694 2HG2 ILE 87 3HG2 ILE 87 1.620 12.493 3.497 695 3HG2 ILE 87 2HG2 ILE 87 3.145 11.606 3.490 696 1HD1 ILE 87 1HD1 ILE 87 1.476 10.630 5.060 697 2HD1 ILE 87 3HD1 ILE 87 0.260 11.905 4.975 698 3HD1 ILE 87 2HD1 ILE 87 -0.208 10.268 5.438 699 H LEU 88 H LEU 88 3.034 11.889 -0.111 700 HA LEU 88 HA LEU 88 4.782 9.544 -0.609 701 1HB LEU 88 2HB LEU 88 3.466 11.250 -2.701 702 2HB LEU 88 1HB LEU 88 5.076 10.596 -3.007 703 HG LEU 88 HG LEU 88 3.044 8.710 -1.924 704 1HD1 LEU 88 2HD1 LEU 88 2.049 10.229 -3.839 705 2HD1 LEU 88 1HD1 LEU 88 3.065 9.230 -4.880 706 3HD1 LEU 88 3HD1 LEU 88 1.813 8.482 -3.889 707 1HD2 LEU 88 2HD2 LEU 88 5.619 8.605 -3.065 708 2HD2 LEU 88 1HD2 LEU 88 4.592 7.235 -2.644 709 3HD2 LEU 88 3HD2 LEU 88 4.540 7.909 -4.273 710 H SER 89 HN SER 89 4.446 13.054 -1.255 711 HA SER 89 HA SER 89 6.033 14.776 -1.066 712 1HB SER 89 2HB SER 89 6.834 12.933 1.199 713 2HB SER 89 1HB SER 89 7.579 14.512 0.940 714 HG SER 89 HG SER 89 5.916 15.276 1.959 No H/Q in entry = 714 Start of MODEL 8 1 1H LYS 1 2H LYS 1 -8.855 5.238 8.724 2 2H LYS 1 1H LYS 1 -8.939 4.007 7.557 3 3H LYS 1 3H LYS 1 -9.783 3.846 9.019 4 HA LYS 1 HA LYS 1 -7.842 3.531 10.263 5 1HB LYS 1 2HB LYS 1 -8.428 1.917 7.981 6 2HB LYS 1 1HB LYS 1 -6.674 1.997 8.146 7 1HG LYS 1 2HG LYS 1 -6.911 0.381 9.713 8 2HG LYS 1 1HG LYS 1 -7.513 1.667 10.760 9 1HD LYS 1 2HD LYS 1 -9.240 0.083 10.863 10 2HD LYS 1 1HD LYS 1 -9.811 1.190 9.615 11 1HE LYS 1 2HE LYS 1 -9.634 -0.377 7.984 12 2HE LYS 1 1HE LYS 1 -8.078 -0.952 8.586 13 1HZ LYS 1 2HZ LYS 1 -9.608 -1.851 10.509 14 2HZ LYS 1 1HZ LYS 1 -10.780 -1.825 9.279 15 3HZ LYS 1 3HZ LYS 1 -9.365 -2.738 9.080 16 H LYS 2 H LYS 2 -5.309 3.103 9.869 17 HA LYS 2 HA LYS 2 -4.264 5.358 8.218 18 1HB LYS 2 2HB LYS 2 -3.774 6.377 10.187 19 2HB LYS 2 1HB LYS 2 -4.046 4.905 11.114 20 1HG LYS 2 2HG LYS 2 -1.714 5.593 11.345 21 2HG LYS 2 1HG LYS 2 -1.785 4.097 10.412 22 1HD LYS 2 2HD LYS 2 -0.627 5.141 8.788 23 2HD LYS 2 1HD LYS 2 -2.039 6.163 8.523 24 1HE LYS 2 2HE LYS 2 -1.233 7.791 10.135 25 2HE LYS 2 1HE LYS 2 0.111 6.739 10.579 26 1HZ LYS 2 1HZ LYS 2 0.147 7.066 7.806 27 2HZ LYS 2 3HZ LYS 2 -0.018 8.607 8.494 28 3HZ LYS 2 2HZ LYS 2 1.286 7.613 8.942 29 H ALA 3 H ALA 3 -2.322 4.936 7.144 30 HA ALA 3 HA ALA 3 -1.104 2.249 7.565 31 1HB ALA 3 2HB ALA 3 -2.564 3.168 5.241 32 2HB ALA 3 1HB ALA 3 -0.884 2.842 4.814 33 3HB ALA 3 3HB ALA 3 -1.867 1.578 5.552 34 H VAL 4 H VAL 4 1.144 2.220 7.242 35 HA VAL 4 HA VAL 4 2.415 4.764 6.380 36 HB VAL 4 HB VAL 4 2.957 3.262 8.953 37 1HG1 VAL 4 3HG1 VAL 4 4.811 4.614 7.233 38 2HG1 VAL 4 2HG1 VAL 4 4.594 5.580 8.692 39 3HG1 VAL 4 1HG1 VAL 4 5.111 3.898 8.816 40 1HG2 VAL 4 3HG2 VAL 4 1.492 5.641 8.224 41 2HG2 VAL 4 2HG2 VAL 4 1.649 4.887 9.810 42 3HG2 VAL 4 1HG2 VAL 4 2.839 6.074 9.276 43 H ILE 5 H ILE 5 3.802 4.278 4.802 44 HA ILE 5 HA ILE 5 4.866 1.524 4.569 45 HB ILE 5 HB ILE 5 5.256 3.801 2.623 46 1HG1 ILE 5 2HG1 ILE 5 2.775 3.258 3.388 47 2HG1 ILE 5 1HG1 ILE 5 3.146 3.502 1.693 48 1HG2 ILE 5 2HG2 ILE 5 5.757 0.913 2.686 49 2HG2 ILE 5 1HG2 ILE 5 4.903 1.439 1.236 50 3HG2 ILE 5 3HG2 ILE 5 6.459 2.157 1.650 51 1HD1 ILE 5 3HD1 ILE 5 3.520 0.724 2.539 52 2HD1 ILE 5 2HD1 ILE 5 1.866 1.296 2.751 53 3HD1 ILE 5 1HD1 ILE 5 2.628 1.374 1.162 54 H ASN 6 H ASN 6 6.890 1.135 5.319 55 HA ASN 6 HA ASN 6 8.719 3.481 5.597 56 1HB ASN 6 2HB ASN 6 9.161 0.970 7.159 57 2HB ASN 6 1HB ASN 6 9.497 2.645 7.612 58 1HD2 ASN 6 2HD2 ASN 6 6.412 1.309 9.407 59 2HD2 ASN 6 1HD2 ASN 6 7.969 0.661 9.212 60 H GLY 7 H GLY 7 9.928 3.327 3.719 61 1HA GLY 7 2HA GLY 7 10.719 0.805 2.565 62 2HA GLY 7 1HA GLY 7 11.363 2.389 2.114 63 H GLU 8 H GLU 8 11.757 2.467 5.301 64 HA GLU 8 HA GLU 8 14.565 1.678 5.100 65 1HB GLU 8 2HB GLU 8 14.022 3.738 6.298 66 2HB GLU 8 1HB GLU 8 12.971 2.844 7.398 67 1HG GLU 8 2HG GLU 8 14.723 2.311 8.702 68 2HG GLU 8 1HG GLU 8 15.563 1.592 7.328 69 H GLN 9 H GLN 9 11.652 0.228 6.010 70 HA GLN 9 HA GLN 9 13.122 -1.876 7.538 71 1HB GLN 9 2HB GLN 9 11.319 -0.526 8.773 72 2HB GLN 9 1HB GLN 9 10.157 -1.345 7.727 73 1HG GLN 9 2HG GLN 9 10.210 -2.776 9.570 74 2HG GLN 9 1HG GLN 9 11.410 -3.519 8.512 75 1HE2 GLN 9 2HE2 GLN 9 13.605 -3.366 11.290 76 2HE2 GLN 9 1HE2 GLN 9 12.734 -4.371 10.236 77 H ILE 10 H ILE 10 11.143 -1.133 4.845 78 HA ILE 10 HA ILE 10 10.191 -3.833 4.350 79 HB ILE 10 HB ILE 10 10.431 -1.425 2.525 80 1HG1 ILE 10 2HG1 ILE 10 8.855 -1.229 4.460 81 2HG1 ILE 10 1HG1 ILE 10 8.025 -1.214 2.905 82 1HG2 ILE 10 3HG2 ILE 10 9.639 -4.236 2.049 83 2HG2 ILE 10 2HG2 ILE 10 8.519 -3.025 1.423 84 3HG2 ILE 10 1HG2 ILE 10 10.206 -3.017 0.908 85 1HD1 ILE 10 1HD1 ILE 10 7.984 -3.855 3.350 86 2HD1 ILE 10 3HD1 ILE 10 8.046 -3.308 5.025 87 3HD1 ILE 10 2HD1 ILE 10 6.730 -2.786 3.975 88 H ARG 11 H ARG 11 11.870 -5.294 4.222 89 HA ARG 11 HA ARG 11 14.395 -4.781 2.935 90 1HB ARG 11 2HB ARG 11 13.439 -7.583 2.858 91 2HB ARG 11 1HB ARG 11 14.938 -6.925 3.517 92 1HG ARG 11 2HG ARG 11 13.522 -5.995 5.428 93 2HG ARG 11 1HG ARG 11 12.216 -7.014 4.816 94 1HD ARG 11 2HD ARG 11 13.260 -8.380 6.434 95 2HD ARG 11 1HD ARG 11 13.960 -8.935 4.913 96 HE ARG 11 HE ARG 11 15.473 -6.827 6.307 97 1HH1 ARG 11 2HH1 ARG 11 16.491 -8.911 4.301 98 2HH1 ARG 11 1HH1 ARG 11 17.414 -9.941 5.345 99 1HH2 ARG 11 1HH2 ARG 11 16.005 -8.697 8.258 100 2HH2 ARG 11 2HH2 ARG 11 17.138 -9.819 7.585 101 H SER 12 H SER 12 11.395 -6.325 1.874 102 HA SER 12 HA SER 12 12.118 -5.683 -0.933 103 1HB SER 12 2HB SER 12 12.901 -8.016 -0.516 104 2HB SER 12 1HB SER 12 11.261 -8.458 -0.052 105 HG SER 12 HG SER 12 12.345 -7.914 -2.548 106 H ILE 13 H ILE 13 10.151 -6.109 -2.384 107 HA ILE 13 HA ILE 13 7.903 -4.701 -1.513 108 HB ILE 13 HB ILE 13 8.328 -5.311 -3.880 109 1HG1 ILE 13 2HG1 ILE 13 5.991 -5.764 -4.483 110 2HG1 ILE 13 1HG1 ILE 13 5.659 -6.324 -2.844 111 1HG2 ILE 13 3HG2 ILE 13 7.983 -8.017 -2.717 112 2HG2 ILE 13 2HG2 ILE 13 7.237 -7.760 -4.294 113 3HG2 ILE 13 1HG2 ILE 13 8.969 -7.498 -4.083 114 1HD1 ILE 13 2HD1 ILE 13 6.575 -3.528 -3.582 115 2HD1 ILE 13 1HD1 ILE 13 4.921 -3.981 -3.168 116 3HD1 ILE 13 3HD1 ILE 13 6.197 -4.097 -1.957 117 H SER 14 H SER 14 8.789 -7.993 -0.833 118 HA SER 14 HA SER 14 6.247 -9.078 -0.172 119 1HB SER 14 2HB SER 14 7.911 -10.275 1.636 120 2HB SER 14 1HB SER 14 7.759 -10.774 -0.045 121 HG SER 14 HG SER 14 9.545 -8.749 0.811 122 H ASP 15 H ASP 15 8.614 -7.381 1.912 123 HA ASP 15 HA ASP 15 6.971 -7.457 4.253 124 1HB ASP 15 2HB ASP 15 9.481 -6.223 3.403 125 2HB ASP 15 1HB ASP 15 8.565 -5.205 4.507 126 H LEU 16 H LEU 16 6.910 -5.543 1.416 127 HA LEU 16 HA LEU 16 5.573 -3.217 2.486 128 1HB LEU 16 2HB LEU 16 6.728 -3.384 0.229 129 2HB LEU 16 1HB LEU 16 5.355 -4.332 -0.321 130 HG LEU 16 HG LEU 16 4.131 -2.471 -0.685 131 1HD1 LEU 16 1HD1 LEU 16 5.000 -1.516 2.061 132 2HD1 LEU 16 3HD1 LEU 16 3.826 -0.686 1.039 133 3HD1 LEU 16 2HD1 LEU 16 3.473 -2.302 1.654 134 1HD2 LEU 16 2HD2 LEU 16 6.882 -1.607 -0.438 135 2HD2 LEU 16 1HD2 LEU 16 5.650 -1.086 -1.588 136 3HD2 LEU 16 3HD2 LEU 16 5.774 -0.303 -0.013 137 H HIS 17 H HIS 17 4.325 -5.928 0.524 138 HA HIS 17 HA HIS 17 1.588 -5.393 0.885 139 1HB HIS 17 2HB HIS 17 3.024 -8.036 0.548 140 2HB HIS 17 1HB HIS 17 1.271 -7.842 0.420 141 HD1 HIS 17 HD1 HIS 17 0.421 -6.210 -1.527 142 HD2 HIS 17 HD2 HIS 17 4.446 -7.271 -1.736 143 HE1 HIS 17 HE1 HIS 17 1.201 -5.601 -3.858 144 H GLN 18 H GLN 18 3.897 -6.621 3.108 145 HA GLN 18 HA GLN 18 1.924 -7.783 4.928 146 1HB GLN 18 2HB GLN 18 4.856 -7.110 5.291 147 2HB GLN 18 1HB GLN 18 3.870 -7.921 6.509 148 1HG GLN 18 2HG GLN 18 3.306 -9.583 4.561 149 2HG GLN 18 1HG GLN 18 4.774 -8.937 3.828 150 1HE2 GLN 18 2HE2 GLN 18 6.733 -10.074 6.795 151 2HE2 GLN 18 1HE2 GLN 18 6.444 -8.581 6.042 152 H THR 19 H THR 19 3.734 -4.825 4.599 153 HA THR 19 HA THR 19 2.910 -3.616 7.069 154 HB THR 19 HB THR 19 3.965 -2.513 4.466 155 HG1 THR 19 HG1 THR 19 5.382 -3.556 5.929 156 1HG2 THR 19 3HG2 THR 19 2.461 -1.088 6.480 157 2HG2 THR 19 2HG2 THR 19 4.125 -0.507 6.441 158 3HG2 THR 19 1HG2 THR 19 3.149 -0.482 4.972 159 H LEU 20 H LEU 20 1.518 -3.823 3.895 160 HA LEU 20 HA LEU 20 -0.647 -1.937 4.489 161 1HB LEU 20 2HB LEU 20 -0.869 -3.990 2.310 162 2HB LEU 20 1HB LEU 20 -1.401 -2.306 2.313 163 HG LEU 20 HG LEU 20 1.459 -3.250 2.226 164 1HD1 LEU 20 1HD1 LEU 20 -0.374 -2.078 0.134 165 2HD1 LEU 20 3HD1 LEU 20 1.379 -2.153 -0.052 166 3HD1 LEU 20 2HD1 LEU 20 0.442 -3.641 0.093 167 1HD2 LEU 20 1HD2 LEU 20 0.809 -1.019 3.418 168 2HD2 LEU 20 3HD2 LEU 20 2.114 -0.993 2.232 169 3HD2 LEU 20 2HD2 LEU 20 0.504 -0.435 1.782 170 H LYS 21 H LYS 21 -0.086 -5.399 4.417 171 HA LYS 21 HA LYS 21 -2.764 -6.240 5.009 172 1HB LYS 21 2HB LYS 21 -0.033 -7.434 5.292 173 2HB LYS 21 1HB LYS 21 -1.368 -8.181 6.175 174 1HG LYS 21 2HG LYS 21 -2.301 -7.650 3.555 175 2HG LYS 21 1HG LYS 21 -0.724 -8.430 3.407 176 1HD LYS 21 2HD LYS 21 -2.729 -9.514 5.363 177 2HD LYS 21 1HD LYS 21 -2.883 -9.910 3.657 178 1HE LYS 21 2HE LYS 21 -0.356 -10.335 5.274 179 2HE LYS 21 1HE LYS 21 -1.550 -11.596 4.954 180 1HZ LYS 21 2HZ LYS 21 -1.203 -11.242 2.576 181 2HZ LYS 21 1HZ LYS 21 -0.009 -10.081 2.914 182 3HZ LYS 21 3HZ LYS 21 0.235 -11.701 3.355 183 H LYS 22 H LYS 22 -0.202 -4.858 6.933 184 HA LYS 22 HA LYS 22 -1.431 -5.602 9.493 185 1HB LYS 22 2HB LYS 22 0.926 -5.435 9.585 186 2HB LYS 22 1HB LYS 22 0.942 -3.925 8.677 187 1HG LYS 22 2HG LYS 22 -0.069 -2.735 10.546 188 2HG LYS 22 1HG LYS 22 -0.239 -4.241 11.451 189 1HD LYS 22 2HD LYS 22 2.245 -4.514 11.382 190 2HD LYS 22 1HD LYS 22 2.363 -2.937 10.600 191 1HE LYS 22 2HE LYS 22 0.809 -2.288 12.724 192 2HE LYS 22 1HE LYS 22 1.749 -3.606 13.425 193 1HZ LYS 22 1HZ LYS 22 3.605 -2.173 12.074 194 2HZ LYS 22 3HZ LYS 22 2.581 -0.961 12.673 195 3HZ LYS 22 2HZ LYS 22 3.305 -2.064 13.744 196 H GLU 23 H GLU 23 -0.964 -2.560 7.652 197 HA GLU 23 HA GLU 23 -2.500 -0.977 9.509 198 1HB GLU 23 2HB GLU 23 -1.956 -0.409 6.589 199 2HB GLU 23 1HB GLU 23 -2.390 0.768 7.828 200 1HG GLU 23 2HG GLU 23 0.102 -0.951 7.951 201 2HG GLU 23 1HG GLU 23 0.076 0.688 7.300 202 H LEU 24 H LEU 24 -3.246 -1.987 6.228 203 HA LEU 24 HA LEU 24 -6.016 -1.336 6.316 204 1HB LEU 24 2HB LEU 24 -4.825 -3.556 4.641 205 2HB LEU 24 1HB LEU 24 -6.209 -2.533 4.260 206 HG LEU 24 HG LEU 24 -3.523 -1.263 4.703 207 1HD1 LEU 24 3HD1 LEU 24 -4.463 -2.711 2.227 208 2HD1 LEU 24 2HD1 LEU 24 -3.214 -1.467 2.190 209 3HD1 LEU 24 1HD1 LEU 24 -2.957 -2.947 3.115 210 1HD2 LEU 24 1HD2 LEU 24 -5.570 0.104 4.492 211 2HD2 LEU 24 3HD2 LEU 24 -4.457 0.389 3.158 212 3HD2 LEU 24 2HD2 LEU 24 -5.881 -0.621 2.914 213 H ALA 25 H ALA 25 -4.180 -4.104 7.397 214 HA ALA 25 HA ALA 25 -4.871 -5.833 8.845 215 1HB ALA 25 3HB ALA 25 -6.836 -3.880 9.173 216 2HB ALA 25 2HB ALA 25 -7.742 -5.338 8.766 217 3HB ALA 25 1HB ALA 25 -6.648 -5.337 10.149 218 H LEU 26 H LEU 26 -4.450 -6.470 6.265 219 HA LEU 26 HA LEU 26 -6.824 -7.724 5.084 220 1HB LEU 26 2HB LEU 26 -3.961 -8.164 4.223 221 2HB LEU 26 1HB LEU 26 -5.427 -8.259 3.243 222 HG LEU 26 HG LEU 26 -4.470 -5.701 4.551 223 1HD1 LEU 26 3HD1 LEU 26 -3.505 -7.069 2.198 224 2HD1 LEU 26 2HD1 LEU 26 -4.284 -5.558 1.731 225 3HD1 LEU 26 1HD1 LEU 26 -2.955 -5.543 2.891 226 1HD2 LEU 26 3HD2 LEU 26 -6.952 -6.427 3.527 227 2HD2 LEU 26 2HD2 LEU 26 -6.372 -4.775 3.737 228 3HD2 LEU 26 1HD2 LEU 26 -6.188 -5.582 2.181 229 HA PRO 27 HA PRO 27 -6.214 -11.729 6.776 230 1HB PRO 27 2HB PRO 27 -7.175 -13.262 4.711 231 2HB PRO 27 1HB PRO 27 -8.216 -12.288 5.769 232 1HG PRO 27 2HG PRO 27 -7.421 -11.784 2.945 233 2HG PRO 27 1HG PRO 27 -8.848 -11.214 3.827 234 1HD PRO 27 2HD PRO 27 -6.495 -9.713 3.257 235 2HD PRO 27 1HD PRO 27 -7.823 -9.231 4.336 236 H GLU 28 H GLU 28 -5.575 -14.101 5.574 237 HA GLU 28 HA GLU 28 -2.731 -13.758 4.977 238 1HB GLU 28 2HB GLU 28 -3.457 -15.629 6.374 239 2HB GLU 28 1HB GLU 28 -4.503 -16.220 5.078 240 1HG GLU 28 2HG GLU 28 -2.443 -16.422 3.630 241 2HG GLU 28 1HG GLU 28 -1.476 -16.065 5.062 242 H TYR 29 H TYR 29 -5.494 -15.237 3.244 243 HA TYR 29 HA TYR 29 -4.142 -15.809 0.840 244 1HB TYR 29 2HB TYR 29 -6.353 -15.830 -0.219 245 2HB TYR 29 1HB TYR 29 -6.423 -16.607 1.366 246 HD1 TYR 29 HD2 TYR 29 -6.847 -13.222 -0.231 247 HD2 TYR 29 HD1 TYR 29 -8.032 -15.924 2.901 248 HE1 TYR 29 HE2 TYR 29 -8.604 -11.628 0.485 249 HE2 TYR 29 HE1 TYR 29 -9.788 -14.323 3.613 250 HH TYR 29 HH TYR 29 -11.140 -12.400 2.363 251 H TYR 30 H TYR 30 -4.953 -12.765 2.142 252 HA TYR 30 HA TYR 30 -5.557 -11.018 0.166 253 1HB TYR 30 2HB TYR 30 -4.970 -10.034 2.207 254 2HB TYR 30 1HB TYR 30 -3.435 -10.894 2.280 255 HD1 TYR 30 HD2 TYR 30 -5.098 -8.673 -0.260 256 HD2 TYR 30 HD1 TYR 30 -1.618 -9.481 2.112 257 HE1 TYR 30 HE2 TYR 30 -3.946 -6.728 -1.283 258 HE2 TYR 30 HE1 TYR 30 -0.467 -7.537 1.107 259 HH TYR 30 HH TYR 30 -1.213 -5.337 -0.013 260 H GLY 31 H GLY 31 -4.812 -10.514 -1.825 261 1HA GLY 31 2HA GLY 31 -2.475 -11.917 -2.884 262 2HA GLY 31 1HA GLY 31 -3.522 -10.815 -3.790 263 H GLU 32 H GLU 32 -0.470 -11.069 -3.174 264 HA GLU 32 HA GLU 32 0.077 -8.451 -1.961 265 1HB GLU 32 2HB GLU 32 2.362 -9.094 -2.032 266 2HB GLU 32 1HB GLU 32 1.482 -10.585 -1.690 267 1HG GLU 32 2HG GLU 32 2.473 -11.498 -3.493 268 2HG GLU 32 1HG GLU 32 1.532 -10.390 -4.493 269 H ASN 33 H ASN 33 -1.490 -8.092 -4.205 270 HA ASN 33 HA ASN 33 0.414 -6.685 -5.990 271 1HB ASN 33 2HB ASN 33 -1.242 -7.528 -7.895 272 2HB ASN 33 1HB ASN 33 0.140 -8.504 -7.398 273 1HD2 ASN 33 2HD2 ASN 33 -2.207 -11.120 -6.912 274 2HD2 ASN 33 1HD2 ASN 33 -0.901 -10.557 -7.840 275 H LEU 34 H LEU 34 -1.214 -5.530 -7.759 276 HA LEU 34 HA LEU 34 -2.786 -3.722 -6.088 277 1HB LEU 34 2HB LEU 34 -3.336 -2.718 -8.427 278 2HB LEU 34 1HB LEU 34 -1.684 -2.592 -7.821 279 HG LEU 34 HG LEU 34 -2.249 -5.077 -9.306 280 1HD1 LEU 34 3HD1 LEU 34 -3.493 -3.002 -10.435 281 2HD1 LEU 34 2HD1 LEU 34 -1.863 -2.647 -11.005 282 3HD1 LEU 34 1HD1 LEU 34 -2.623 -4.187 -11.409 283 1HD2 LEU 34 3HD2 LEU 34 -0.071 -3.264 -8.673 284 2HD2 LEU 34 2HD2 LEU 34 0.002 -4.939 -9.220 285 3HD2 LEU 34 1HD2 LEU 34 -0.100 -3.630 -10.399 286 H ASP 35 H ASP 35 -3.472 -6.655 -7.640 287 HA ASP 35 HA ASP 35 -6.235 -5.984 -8.334 288 1HB ASP 35 2HB ASP 35 -6.171 -8.718 -8.198 289 2HB ASP 35 1HB ASP 35 -5.855 -7.779 -9.651 290 H ALA 36 H ALA 36 -4.725 -8.135 -5.890 291 HA ALA 36 HA ALA 36 -7.240 -8.443 -4.479 292 1HB ALA 36 2HB ALA 36 -5.154 -10.028 -4.504 293 2HB ALA 36 1HB ALA 36 -4.569 -8.977 -3.214 294 3HB ALA 36 3HB ALA 36 -6.084 -9.861 -3.014 295 H LEU 37 H LEU 37 -4.405 -6.436 -4.154 296 HA LEU 37 HA LEU 37 -5.071 -5.285 -1.604 297 1HB LEU 37 2HB LEU 37 -2.829 -5.032 -2.518 298 2HB LEU 37 1HB LEU 37 -3.474 -4.161 -3.911 299 HG LEU 37 HG LEU 37 -4.503 -2.875 -1.600 300 1HD1 LEU 37 2HD1 LEU 37 -1.684 -3.825 -1.343 301 2HD1 LEU 37 1HD1 LEU 37 -2.022 -2.164 -0.855 302 3HD1 LEU 37 3HD1 LEU 37 -2.881 -3.500 -0.087 303 1HD2 LEU 37 1HD2 LEU 37 -3.538 -2.176 -4.036 304 2HD2 LEU 37 3HD2 LEU 37 -3.766 -1.019 -2.726 305 3HD2 LEU 37 2HD2 LEU 37 -2.170 -1.706 -3.026 306 H TRP 38 H TRP 38 -5.558 -4.087 -4.944 307 HA TRP 38 HA TRP 38 -7.122 -1.818 -4.197 308 1HB TRP 38 2HB TRP 38 -6.323 -1.968 -6.474 309 2HB TRP 38 1HB TRP 38 -7.060 -3.553 -6.662 310 HD1 TRP 38 HD1 TRP 38 -9.307 -3.659 -7.672 311 HE1 TRP 38 HE1 TRP 38 -11.168 -1.982 -8.290 312 HE3 TRP 38 HE3 TRP 38 -7.412 0.584 -5.554 313 HZ2 TRP 38 HZ2 TRP 38 -11.756 0.792 -7.940 314 HZ3 TRP 38 HZ3 TRP 38 -8.636 2.719 -5.722 315 HH2 TRP 38 HH2 TRP 38 -10.806 2.833 -6.907 316 H ASP 39 H ASP 39 -7.884 -5.146 -4.906 317 HA ASP 39 HA ASP 39 -10.702 -5.019 -4.685 318 1HB ASP 39 2HB ASP 39 -8.648 -7.106 -4.533 319 2HB ASP 39 1HB ASP 39 -10.058 -7.447 -3.522 320 H ALA 40 H ALA 40 -8.181 -5.017 -2.267 321 HA ALA 40 HA ALA 40 -10.085 -5.332 -0.047 322 1HB ALA 40 1HB ALA 40 -7.242 -5.444 -0.322 323 2HB ALA 40 3HB ALA 40 -7.630 -4.202 0.871 324 3HB ALA 40 2HB ALA 40 -8.224 -5.850 1.089 325 H LEU 41 H LEU 41 -7.765 -2.701 -0.741 326 HA LEU 41 HA LEU 41 -8.727 -0.667 0.776 327 1HB LEU 41 2HB LEU 41 -7.694 -0.678 -2.025 328 2HB LEU 41 1HB LEU 41 -8.340 0.827 -1.376 329 HG LEU 41 HG LEU 41 -6.458 -0.675 0.370 330 1HD1 LEU 41 3HD1 LEU 41 -5.409 -0.827 -1.882 331 2HD1 LEU 41 2HD1 LEU 41 -5.543 0.926 -2.042 332 3HD1 LEU 41 1HD1 LEU 41 -4.497 0.228 -0.801 333 1HD2 LEU 41 1HD2 LEU 41 -7.647 1.661 0.690 334 2HD2 LEU 41 3HD2 LEU 41 -5.973 1.437 1.210 335 3HD2 LEU 41 2HD2 LEU 41 -6.322 2.237 -0.324 336 H THR 42 H THR 42 -9.933 -1.059 -2.520 337 HA THR 42 HA THR 42 -12.389 0.392 -1.790 338 HB THR 42 HB THR 42 -11.432 0.886 -3.965 339 HG1 THR 42 HG1 THR 42 -13.810 0.505 -3.636 340 1HG2 THR 42 3HG2 THR 42 -11.400 -2.093 -4.164 341 2HG2 THR 42 2HG2 THR 42 -11.625 -1.164 -5.646 342 3HG2 THR 42 1HG2 THR 42 -10.180 -0.923 -4.664 343 H GLY 43 H GLY 43 -12.399 -1.803 -0.244 344 1HA GLY 43 2HA GLY 43 -14.782 -3.076 -0.501 345 2HA GLY 43 1HA GLY 43 -13.780 -4.017 -1.609 346 H TRP 44 H TRP 44 -12.579 -2.584 1.416 347 HA TRP 44 HA TRP 44 -12.885 -4.958 3.018 348 1HB TRP 44 2HB TRP 44 -11.233 -5.954 1.543 349 2HB TRP 44 1HB TRP 44 -10.199 -4.532 1.690 350 HD1 TRP 44 HD1 TRP 44 -9.343 -3.981 4.279 351 HE1 TRP 44 HE1 TRP 44 -8.601 -5.639 6.106 352 HE3 TRP 44 HE3 TRP 44 -11.452 -8.269 2.485 353 HZ2 TRP 44 HZ2 TRP 44 -8.869 -8.419 6.728 354 HZ3 TRP 44 HZ3 TRP 44 -11.196 -10.406 3.713 355 HH2 TRP 44 HH2 TRP 44 -9.907 -10.487 5.830 356 H VAL 45 H VAL 45 -10.742 -2.260 2.283 357 HA VAL 45 HA VAL 45 -10.059 -1.745 5.048 358 HB VAL 45 HB VAL 45 -9.586 -0.489 2.384 359 1HG1 VAL 45 1HG1 VAL 45 -10.301 1.405 3.805 360 2HG1 VAL 45 3HG1 VAL 45 -9.067 0.966 4.987 361 3HG1 VAL 45 2HG1 VAL 45 -8.593 1.505 3.377 362 1HG2 VAL 45 2HG2 VAL 45 -8.170 -2.027 4.328 363 2HG2 VAL 45 1HG2 VAL 45 -7.605 -1.484 2.746 364 3HG2 VAL 45 3HG2 VAL 45 -7.360 -0.468 4.169 365 H GLU 46 H GLU 46 -10.557 0.492 5.998 366 HA GLU 46 HA GLU 46 -13.367 1.281 5.339 367 1HB GLU 46 2HB GLU 46 -12.179 0.407 7.856 368 2HB GLU 46 1HB GLU 46 -12.918 2.002 8.002 369 1HG GLU 46 2HG GLU 46 -14.663 0.361 6.441 370 2HG GLU 46 1HG GLU 46 -14.224 -0.535 7.895 371 H TYR 47 H TYR 47 -13.209 3.232 4.367 372 HA TYR 47 HA TYR 47 -11.023 5.073 5.005 373 1HB TYR 47 2HB TYR 47 -13.417 5.401 3.171 374 2HB TYR 47 1HB TYR 47 -11.984 6.432 3.195 375 HD1 TYR 47 HD2 TYR 47 -9.697 4.812 3.316 376 HD2 TYR 47 HD1 TYR 47 -13.426 3.921 1.372 377 HE1 TYR 47 HE2 TYR 47 -8.531 3.211 1.814 378 HE2 TYR 47 HE1 TYR 47 -12.257 2.332 -0.131 379 HH TYR 47 HH TYR 47 -9.840 2.074 -0.995 380 HA PRO 48 HA PRO 48 -11.177 7.525 4.351 381 1HB PRO 48 2HB PRO 48 -10.045 9.360 6.057 382 2HB PRO 48 1HB PRO 48 -11.473 9.682 5.054 383 1HG PRO 48 2HG PRO 48 -11.321 9.118 7.988 384 2HG PRO 48 1HG PRO 48 -12.490 10.104 7.093 385 1HD PRO 48 2HD PRO 48 -12.978 7.512 8.025 386 2HD PRO 48 1HD PRO 48 -13.895 8.315 6.730 387 H LEU 49 H LEU 49 -9.048 6.953 4.099 388 HA LEU 49 HA LEU 49 -7.736 5.578 6.411 389 1HB LEU 49 2HB LEU 49 -8.235 3.883 4.836 390 2HB LEU 49 1HB LEU 49 -7.877 4.932 3.465 391 HG LEU 49 HG LEU 49 -5.441 4.938 4.380 392 1HD1 LEU 49 2HD1 LEU 49 -6.394 3.717 6.521 393 2HD1 LEU 49 1HD1 LEU 49 -6.205 2.274 5.522 394 3HD1 LEU 49 3HD1 LEU 49 -4.806 3.285 5.887 395 1HD2 LEU 49 2HD2 LEU 49 -6.941 2.994 2.784 396 2HD2 LEU 49 1HD2 LEU 49 -5.398 3.781 2.440 397 3HD2 LEU 49 3HD2 LEU 49 -5.447 2.337 3.453 398 H VAL 50 H VAL 50 -5.383 5.745 6.439 399 HA VAL 50 HA VAL 50 -4.390 8.179 5.012 400 HB VAL 50 HB VAL 50 -4.000 7.149 7.794 401 1HG1 VAL 50 3HG1 VAL 50 -1.704 7.036 6.757 402 2HG1 VAL 50 2HG1 VAL 50 -1.843 8.755 6.386 403 3HG1 VAL 50 1HG1 VAL 50 -1.837 8.212 8.064 404 1HG2 VAL 50 3HG2 VAL 50 -5.258 9.284 6.805 405 2HG2 VAL 50 2HG2 VAL 50 -4.435 9.341 8.364 406 3HG2 VAL 50 1HG2 VAL 50 -3.643 9.983 6.926 407 H LEU 51 H LEU 51 -2.383 7.954 3.912 408 HA LEU 51 HA LEU 51 -1.164 5.232 4.021 409 1HB LEU 51 2HB LEU 51 -2.603 5.404 1.993 410 2HB LEU 51 1HB LEU 51 -1.663 6.813 1.485 411 HG LEU 51 HG LEU 51 0.400 5.253 1.735 412 1HD1 LEU 51 3HD1 LEU 51 -1.811 3.456 2.271 413 2HD1 LEU 51 2HD1 LEU 51 -0.833 2.894 0.905 414 3HD1 LEU 51 1HD1 LEU 51 -0.082 3.184 2.482 415 1HD2 LEU 51 2HD2 LEU 51 -0.663 6.097 -0.398 416 2HD2 LEU 51 1HD2 LEU 51 0.192 4.564 -0.539 417 3HD2 LEU 51 3HD2 LEU 51 -1.568 4.579 -0.441 418 H GLU 52 H GLU 52 0.089 6.859 5.511 419 HA GLU 52 HA GLU 52 1.785 8.841 4.327 420 1HB GLU 52 2HB GLU 52 1.542 8.932 6.680 421 2HB GLU 52 1HB GLU 52 1.893 7.214 6.870 422 1HG GLU 52 2HG GLU 52 3.765 8.863 7.513 423 2HG GLU 52 1HG GLU 52 4.215 7.541 6.437 424 H TRP 53 H TRP 53 2.613 7.754 2.366 425 HA TRP 53 HA TRP 53 4.194 5.333 2.679 426 1HB TRP 53 2HB TRP 53 2.947 6.209 0.539 427 2HB TRP 53 1HB TRP 53 4.457 7.087 0.265 428 HD1 TRP 53 HD1 TRP 53 6.731 5.346 0.763 429 HE1 TRP 53 HE1 TRP 53 7.070 2.991 -0.230 430 HE3 TRP 53 HE3 TRP 53 1.933 4.232 -0.508 431 HZ2 TRP 53 HZ2 TRP 53 5.493 0.908 -1.400 432 HZ3 TRP 53 HZ3 TRP 53 1.362 2.073 -1.556 433 HH2 TRP 53 HH2 TRP 53 3.146 0.399 -2.008 434 H ARG 54 H ARG 54 5.851 5.897 4.191 435 HA ARG 54 HA ARG 54 7.517 8.211 3.963 436 1HB ARG 54 2HB ARG 54 8.524 5.591 5.058 437 2HB ARG 54 1HB ARG 54 8.841 7.228 5.636 438 1HG ARG 54 2HG ARG 54 6.043 6.900 5.763 439 2HG ARG 54 1HG ARG 54 6.731 5.411 6.411 440 1HD ARG 54 2HD ARG 54 7.598 8.181 7.277 441 2HD ARG 54 1HD ARG 54 6.400 7.215 8.137 442 HE ARG 54 HE ARG 54 9.218 6.285 7.743 443 1HH1 ARG 54 2HH1 ARG 54 6.968 4.518 8.870 444 2HH1 ARG 54 1HH1 ARG 54 7.281 4.645 10.568 445 1HH2 ARG 54 1HH2 ARG 54 9.360 7.402 10.247 446 2HH2 ARG 54 2HH2 ARG 54 8.636 6.278 11.348 447 H GLN 55 H GLN 55 9.985 6.164 4.013 448 HA GLN 55 HA GLN 55 11.129 6.790 1.572 449 1HB GLN 55 2HB GLN 55 11.392 4.440 3.405 450 2HB GLN 55 1HB GLN 55 12.156 4.342 1.818 451 1HG GLN 55 2HG GLN 55 13.534 6.220 2.237 452 2HG GLN 55 1HG GLN 55 12.543 6.748 3.598 453 1HE2 GLN 55 2HE2 GLN 55 14.801 3.372 4.282 454 2HE2 GLN 55 1HE2 GLN 55 13.986 3.535 2.802 455 H PHE 56 H PHE 56 10.301 6.539 -0.445 456 HA PHE 56 HA PHE 56 8.623 4.120 -0.980 457 1HB PHE 56 2HB PHE 56 7.366 6.187 -1.224 458 2HB PHE 56 1HB PHE 56 8.610 6.857 -2.279 459 HD1 PHE 56 HD2 PHE 56 8.965 5.935 -4.556 460 HD2 PHE 56 HD1 PHE 56 5.786 4.553 -2.026 461 HE1 PHE 56 HE2 PHE 56 7.865 4.891 -6.511 462 HE2 PHE 56 HE1 PHE 56 4.682 3.509 -3.976 463 HZ PHE 56 HZ PHE 56 5.722 3.675 -6.226 464 H GLU 57 H GLU 57 10.643 6.416 -2.843 465 HA GLU 57 HA GLU 57 11.176 4.953 -5.095 466 1HB GLU 57 2HB GLU 57 12.680 6.939 -3.533 467 2HB GLU 57 1HB GLU 57 13.695 5.910 -4.546 468 1HG GLU 57 2HG GLU 57 12.515 6.525 -6.527 469 2HG GLU 57 1HG GLU 57 11.209 7.268 -5.602 470 H GLN 58 H GLN 58 13.085 4.619 -2.078 471 HA GLN 58 HA GLN 58 14.826 2.596 -2.921 472 1HB GLN 58 2HB GLN 58 14.560 1.819 -0.402 473 2HB GLN 58 1HB GLN 58 15.335 3.353 -0.796 474 1HG GLN 58 2HG GLN 58 12.434 3.613 -0.610 475 2HG GLN 58 1HG GLN 58 13.144 3.017 0.891 476 1HE2 GLN 58 2HE2 GLN 58 15.383 6.012 0.968 477 2HE2 GLN 58 1HE2 GLN 58 15.632 4.334 0.892 478 H SER 59 H SER 59 11.933 1.850 -0.935 479 HA SER 59 HA SER 59 11.940 -0.916 -1.432 480 1HB SER 59 2HB SER 59 9.331 0.543 -1.187 481 2HB SER 59 1HB SER 59 9.836 -0.974 -0.441 482 HG SER 59 HG SER 59 9.813 1.246 0.756 483 H LYS 60 H LYS 60 11.066 1.641 -3.578 484 HA LYS 60 HA LYS 60 9.384 -0.040 -5.294 485 1HB LYS 60 2HB LYS 60 9.182 2.496 -4.951 486 2HB LYS 60 1HB LYS 60 10.572 2.627 -6.034 487 1HG LYS 60 2HG LYS 60 8.461 0.823 -7.013 488 2HG LYS 60 1HG LYS 60 7.953 2.505 -6.866 489 1HD LYS 60 2HD LYS 60 9.463 3.247 -8.452 490 2HD LYS 60 1HD LYS 60 10.610 1.949 -8.118 491 1HE LYS 60 2HE LYS 60 9.372 0.372 -9.366 492 2HE LYS 60 1HE LYS 60 7.918 1.371 -9.348 493 1HZ LYS 60 1HZ LYS 60 9.841 2.937 -10.511 494 2HZ LYS 60 3HZ LYS 60 10.104 1.398 -11.176 495 3HZ LYS 60 2HZ LYS 60 8.577 2.131 -11.310 496 H GLN 61 H GLN 61 12.766 0.962 -5.204 497 HA GLN 61 HA GLN 61 13.282 0.153 -7.954 498 1HB GLN 61 2HB GLN 61 14.576 1.952 -6.863 499 2HB GLN 61 1HB GLN 61 15.234 0.769 -5.733 500 1HG GLN 61 2HG GLN 61 16.514 -0.285 -7.371 501 2HG GLN 61 1HG GLN 61 15.473 0.269 -8.683 502 1HE2 GLN 61 2HE2 GLN 61 17.003 3.541 -8.813 503 2HE2 GLN 61 1HE2 GLN 61 15.513 2.758 -9.029 504 H LEU 62 H LEU 62 14.545 -1.052 -4.898 505 HA LEU 62 HA LEU 62 15.896 -3.287 -5.659 506 1HB LEU 62 2HB LEU 62 14.449 -4.361 -3.550 507 2HB LEU 62 1HB LEU 62 15.951 -3.445 -3.412 508 HG LEU 62 HG LEU 62 14.686 -1.365 -3.172 509 1HD1 LEU 62 3HD1 LEU 62 12.544 -3.076 -4.153 510 2HD1 LEU 62 2HD1 LEU 62 12.067 -2.210 -2.702 511 3HD1 LEU 62 1HD1 LEU 62 12.628 -1.314 -4.115 512 1HD2 LEU 62 3HD2 LEU 62 15.158 -2.684 -1.141 513 2HD2 LEU 62 2HD2 LEU 62 13.624 -1.826 -1.001 514 3HD2 LEU 62 1HD2 LEU 62 13.638 -3.553 -1.355 515 H THR 63 H THR 63 12.471 -2.887 -5.961 516 HA THR 63 HA THR 63 12.186 -5.734 -6.780 517 HB THR 63 HB THR 63 10.379 -5.337 -5.388 518 HG1 THR 63 HG1 THR 63 8.571 -4.780 -6.749 519 1HG2 THR 63 3HG2 THR 63 10.674 -2.503 -6.310 520 2HG2 THR 63 2HG2 THR 63 9.145 -3.023 -5.600 521 3HG2 THR 63 1HG2 THR 63 10.636 -3.145 -4.667 522 H GLU 64 H GLU 64 10.141 -3.166 -7.979 523 HA GLU 64 HA GLU 64 11.326 -2.428 -10.376 524 1HB GLU 64 2HB GLU 64 10.180 -4.092 -11.961 525 2HB GLU 64 1HB GLU 64 11.592 -4.695 -11.092 526 1HG GLU 64 2HG GLU 64 9.826 -5.428 -9.290 527 2HG GLU 64 1HG GLU 64 8.686 -5.304 -10.631 528 H ASN 65 H ASN 65 8.468 -3.468 -8.675 529 HA ASN 65 HA ASN 65 7.010 -1.096 -9.302 530 1HB ASN 65 2HB ASN 65 5.454 -1.833 -10.930 531 2HB ASN 65 1HB ASN 65 7.017 -2.391 -11.526 532 1HD2 ASN 65 2HD2 ASN 65 4.158 -5.103 -10.826 533 2HD2 ASN 65 1HD2 ASN 65 3.862 -3.434 -10.907 534 H GLY 66 H GLY 66 7.648 -2.980 -7.091 535 1HA GLY 66 2HA GLY 66 5.124 -4.267 -6.373 536 2HA GLY 66 1HA GLY 66 6.554 -4.138 -5.343 537 H ALA 67 H ALA 67 7.029 -1.638 -4.845 538 HA ALA 67 HA ALA 67 4.832 -0.722 -3.231 539 1HB ALA 67 1HB ALA 67 7.415 0.581 -4.119 540 2HB ALA 67 3HB ALA 67 6.257 1.395 -3.065 541 3HB ALA 67 2HB ALA 67 7.032 -0.099 -2.537 542 H GLU 68 H GLU 68 6.079 0.272 -6.413 543 HA GLU 68 HA GLU 68 4.363 2.508 -6.751 544 1HB GLU 68 2HB GLU 68 6.334 1.221 -8.267 545 2HB GLU 68 1HB GLU 68 4.868 1.103 -9.241 546 1HG GLU 68 2HG GLU 68 5.164 3.737 -8.015 547 2HG GLU 68 1HG GLU 68 6.528 3.331 -9.058 548 H SER 69 H SER 69 3.747 -0.881 -6.815 549 HA SER 69 HA SER 69 1.311 -0.628 -8.434 550 1HB SER 69 2HB SER 69 1.791 -2.816 -8.740 551 2HB SER 69 1HB SER 69 2.970 -2.791 -7.434 552 HG SER 69 HG SER 69 1.316 -4.196 -6.889 553 H VAL 70 H VAL 70 1.959 -1.536 -4.995 554 HA VAL 70 HA VAL 70 -0.724 -1.499 -4.171 555 HB VAL 70 HB VAL 70 1.807 -0.692 -2.708 556 1HG1 VAL 70 2HG1 VAL 70 -1.031 -0.698 -1.632 557 2HG1 VAL 70 1HG1 VAL 70 0.416 -0.568 -0.634 558 3HG1 VAL 70 3HG1 VAL 70 0.025 0.704 -1.787 559 1HG2 VAL 70 1HG2 VAL 70 0.914 -3.153 -3.298 560 2HG2 VAL 70 3HG2 VAL 70 1.722 -2.805 -1.770 561 3HG2 VAL 70 2HG2 VAL 70 -0.039 -2.876 -1.840 562 H LEU 71 H LEU 71 1.576 1.006 -4.894 563 HA LEU 71 HA LEU 71 -0.072 3.106 -3.866 564 1HB LEU 71 2HB LEU 71 2.485 3.130 -4.379 565 2HB LEU 71 1HB LEU 71 1.973 3.548 -6.016 566 HG LEU 71 HG LEU 71 0.871 5.522 -5.272 567 1HD1 LEU 71 2HD1 LEU 71 1.043 4.190 -2.607 568 2HD1 LEU 71 1HD1 LEU 71 1.042 5.957 -2.654 569 3HD1 LEU 71 3HD1 LEU 71 -0.313 5.054 -3.351 570 1HD2 LEU 71 1HD2 LEU 71 3.557 5.171 -5.019 571 2HD2 LEU 71 3HD2 LEU 71 2.749 6.725 -4.812 572 3HD2 LEU 71 2HD2 LEU 71 3.144 5.742 -3.401 573 H GLN 72 H GLN 72 0.412 1.733 -7.129 574 HA GLN 72 HA GLN 72 -1.209 3.583 -8.516 575 1HB GLN 72 2HB GLN 72 -0.447 0.745 -8.900 576 2HB GLN 72 1HB GLN 72 -1.928 1.243 -9.719 577 1HG GLN 72 2HG GLN 72 -0.463 3.324 -10.435 578 2HG GLN 72 1HG GLN 72 0.877 2.221 -10.121 579 1HE2 GLN 72 2HE2 GLN 72 -0.730 -0.138 -12.621 580 2HE2 GLN 72 1HE2 GLN 72 -0.545 -0.216 -10.936 581 H VAL 73 H VAL 73 -2.017 0.975 -6.373 582 HA VAL 73 HA VAL 73 -4.897 1.117 -6.866 583 HB VAL 73 HB VAL 73 -3.226 -0.309 -4.791 584 1HG1 VAL 73 3HG1 VAL 73 -5.538 0.341 -3.970 585 2HG1 VAL 73 2HG1 VAL 73 -6.188 -0.623 -5.292 586 3HG1 VAL 73 1HG1 VAL 73 -5.237 -1.393 -4.036 587 1HG2 VAL 73 1HG2 VAL 73 -4.388 -0.878 -7.456 588 2HG2 VAL 73 3HG2 VAL 73 -2.941 -1.541 -6.692 589 3HG2 VAL 73 2HG2 VAL 73 -4.533 -2.175 -6.265 590 H PHE 74 H PHE 74 -2.877 1.930 -4.017 591 HA PHE 74 HA PHE 74 -4.837 2.978 -2.385 592 1HB PHE 74 2HB PHE 74 -1.923 3.390 -2.757 593 2HB PHE 74 1HB PHE 74 -2.780 4.628 -1.855 594 HD1 PHE 74 HD2 PHE 74 -3.930 4.097 0.248 595 HD2 PHE 74 HD1 PHE 74 -1.751 1.133 -1.929 596 HE1 PHE 74 HE2 PHE 74 -3.998 2.596 2.211 597 HE2 PHE 74 HE1 PHE 74 -1.803 -0.370 0.027 598 HZ PHE 74 HZ PHE 74 -2.940 0.374 2.098 599 H ARG 75 H ARG 75 -2.792 4.650 -4.719 600 HA ARG 75 HA ARG 75 -4.114 7.160 -4.621 601 1HB ARG 75 2HB ARG 75 -2.378 5.762 -6.639 602 2HB ARG 75 1HB ARG 75 -3.214 7.241 -7.112 603 1HG ARG 75 2HG ARG 75 -2.246 8.330 -5.036 604 2HG ARG 75 1HG ARG 75 -1.248 6.889 -4.838 605 1HD ARG 75 2HD ARG 75 0.225 8.054 -6.138 606 2HD ARG 75 1HD ARG 75 -0.777 7.444 -7.455 607 HE ARG 75 HE ARG 75 -1.217 10.140 -6.233 608 1HH1 ARG 75 2HH1 ARG 75 0.033 8.531 -8.899 609 2HH1 ARG 75 1HH1 ARG 75 -0.845 9.442 -10.083 610 1HH2 ARG 75 1HH2 ARG 75 -2.819 11.078 -7.747 611 2HH2 ARG 75 2HH2 ARG 75 -2.459 10.883 -9.430 612 H GLU 76 H GLU 76 -4.687 4.243 -6.680 613 HA GLU 76 HA GLU 76 -6.754 5.408 -8.282 614 1HB GLU 76 2HB GLU 76 -5.969 2.646 -7.494 615 2HB GLU 76 1HB GLU 76 -7.609 2.862 -8.109 616 1HG GLU 76 2HG GLU 76 -6.892 3.479 -10.207 617 2HG GLU 76 1HG GLU 76 -5.389 4.178 -9.605 618 H ALA 77 H ALA 77 -6.700 4.409 -4.990 619 HA ALA 77 HA ALA 77 -9.603 4.200 -4.696 620 1HB ALA 77 3HB ALA 77 -7.371 4.332 -2.632 621 2HB ALA 77 2HB ALA 77 -9.049 3.911 -2.293 622 3HB ALA 77 1HB ALA 77 -8.061 2.853 -3.296 623 H LYS 78 H LYS 78 -7.161 6.429 -3.268 624 HA LYS 78 HA LYS 78 -9.058 8.328 -2.368 625 1HB LYS 78 2HB LYS 78 -7.195 9.708 -1.963 626 2HB LYS 78 1HB LYS 78 -6.533 8.084 -1.840 627 1HG LYS 78 2HG LYS 78 -5.019 8.685 -3.396 628 2HG LYS 78 1HG LYS 78 -6.342 8.731 -4.562 629 1HD LYS 78 2HD LYS 78 -5.388 10.885 -4.718 630 2HD LYS 78 1HD LYS 78 -6.783 11.120 -3.662 631 1HE LYS 78 2HE LYS 78 -5.270 10.833 -1.686 632 2HE LYS 78 1HE LYS 78 -3.899 10.761 -2.794 633 1HZ LYS 78 3HZ LYS 78 -4.780 12.966 -3.669 634 2HZ LYS 78 2HZ LYS 78 -5.712 13.031 -2.250 635 3HZ LYS 78 1HZ LYS 78 -4.016 12.980 -2.155 636 H ALA 79 H ALA 79 -8.023 7.516 -5.517 637 HA ALA 79 HA ALA 79 -8.628 10.137 -6.719 638 1HB ALA 79 1HB ALA 79 -6.919 8.278 -7.526 639 2HB ALA 79 3HB ALA 79 -8.355 7.597 -8.299 640 3HB ALA 79 2HB ALA 79 -7.815 9.229 -8.708 641 H GLU 80 H GLU 80 -9.773 6.860 -7.398 642 HA GLU 80 HA GLU 80 -12.094 7.527 -8.779 643 1HB GLU 80 2HB GLU 80 -11.785 5.164 -6.911 644 2HB GLU 80 1HB GLU 80 -12.843 5.290 -8.312 645 1HG GLU 80 2HG GLU 80 -10.037 5.870 -8.929 646 2HG GLU 80 1HG GLU 80 -10.314 4.220 -8.369 647 H GLY 81 H GLY 81 -12.051 6.563 -5.289 648 1HA GLY 81 2HA GLY 81 -13.965 8.721 -4.721 649 2HA GLY 81 1HA GLY 81 -14.678 7.107 -4.652 650 H ALA 82 H ALA 82 -12.290 5.814 -3.596 651 HA ALA 82 HA ALA 82 -12.719 5.778 -0.897 652 1HB ALA 82 2HB ALA 82 -10.600 4.970 -2.615 653 2HB ALA 82 1HB ALA 82 -9.874 5.756 -1.212 654 3HB ALA 82 3HB ALA 82 -10.963 4.387 -0.993 655 H ASP 83 H ASP 83 -11.731 6.807 0.942 656 HA ASP 83 HA ASP 83 -10.903 9.629 0.401 657 1HB ASP 83 2HB ASP 83 -12.241 8.342 2.803 658 2HB ASP 83 1HB ASP 83 -11.596 9.984 2.821 659 H ILE 84 H ILE 84 -8.891 8.026 -0.007 660 HA ILE 84 HA ILE 84 -7.447 7.527 2.533 661 HB ILE 84 HB ILE 84 -6.846 6.768 -0.336 662 1HG1 ILE 84 2HG1 ILE 84 -7.317 4.700 1.701 663 2HG1 ILE 84 1HG1 ILE 84 -8.721 5.717 1.366 664 1HG2 ILE 84 2HG2 ILE 84 -4.884 7.098 1.375 665 2HG2 ILE 84 1HG2 ILE 84 -5.501 5.608 2.090 666 3HG2 ILE 84 3HG2 ILE 84 -4.945 5.620 0.415 667 1HD1 ILE 84 1HD1 ILE 84 -7.840 5.293 -1.154 668 2HD1 ILE 84 3HD1 ILE 84 -7.318 3.789 -0.397 669 3HD1 ILE 84 2HD1 ILE 84 -9.020 4.253 -0.364 670 H THR 85 H THR 85 -5.338 8.403 2.878 671 HA THR 85 HA THR 85 -4.809 10.897 1.334 672 HB THR 85 HB THR 85 -3.359 10.314 3.875 673 HG1 THR 85 HG1 THR 85 -5.163 10.989 5.070 674 1HG2 THR 85 3HG2 THR 85 -3.691 12.487 2.173 675 2HG2 THR 85 2HG2 THR 85 -4.734 12.867 3.543 676 3HG2 THR 85 1HG2 THR 85 -3.020 12.543 3.803 677 H ILE 86 H ILE 86 -3.739 9.752 -0.388 678 HA ILE 86 HA ILE 86 -1.511 7.983 0.123 679 HB ILE 86 HB ILE 86 -2.847 9.169 -2.240 680 1HG1 ILE 86 2HG1 ILE 86 -2.840 6.931 -3.001 681 2HG1 ILE 86 1HG1 ILE 86 -1.456 6.502 -2.004 682 1HG2 ILE 86 1HG2 ILE 86 0.111 8.755 -2.127 683 2HG2 ILE 86 3HG2 ILE 86 -0.737 8.206 -3.572 684 3HG2 ILE 86 2HG2 ILE 86 -0.828 9.899 -3.089 685 1HD1 ILE 86 3HD1 ILE 86 -3.669 7.482 -0.382 686 2HD1 ILE 86 2HD1 ILE 86 -4.148 6.104 -1.370 687 3HD1 ILE 86 1HD1 ILE 86 -2.786 5.956 -0.253 688 H ILE 87 H ILE 87 0.281 8.753 1.115 689 HA ILE 87 HA ILE 87 1.176 11.524 0.482 690 HB ILE 87 HB ILE 87 2.008 9.586 2.658 691 1HG1 ILE 87 2HG1 ILE 87 1.065 11.880 3.840 692 2HG1 ILE 87 1HG1 ILE 87 0.032 11.765 2.415 693 1HG2 ILE 87 3HG2 ILE 87 3.835 11.126 1.775 694 2HG2 ILE 87 2HG2 ILE 87 2.845 12.476 2.332 695 3HG2 ILE 87 1HG2 ILE 87 3.463 11.300 3.490 696 1HD1 ILE 87 2HD1 ILE 87 -0.124 9.219 3.150 697 2HD1 ILE 87 1HD1 ILE 87 0.282 9.886 4.731 698 3HD1 ILE 87 3HD1 ILE 87 -1.166 10.437 3.887 699 H LEU 88 H LEU 88 2.981 11.861 -0.749 700 HA LEU 88 HA LEU 88 4.850 9.576 -1.163 701 1HB LEU 88 2HB LEU 88 3.391 11.168 -3.267 702 2HB LEU 88 1HB LEU 88 4.942 10.407 -3.623 703 HG LEU 88 HG LEU 88 2.726 8.822 -2.344 704 1HD1 LEU 88 1HD1 LEU 88 2.265 10.095 -4.693 705 2HD1 LEU 88 3HD1 LEU 88 3.076 8.646 -5.286 706 3HD1 LEU 88 2HD1 LEU 88 1.610 8.501 -4.317 707 1HD2 LEU 88 2HD2 LEU 88 5.388 8.317 -3.097 708 2HD2 LEU 88 1HD2 LEU 88 4.182 7.121 -2.625 709 3HD2 LEU 88 3HD2 LEU 88 4.404 7.526 -4.328 710 H SER 89 HN SER 89 4.273 13.060 -1.707 711 HA SER 89 HA SER 89 5.755 14.873 -1.545 712 1HB SER 89 2HB SER 89 6.209 13.579 0.677 713 2HB SER 89 1HB SER 89 7.697 13.063 -0.120 714 HG SER 89 HG SER 89 8.034 14.987 1.023 No H/Q in entry = 714 Start of MODEL 9 1 1H LYS 1 1H LYS 1 -8.490 5.199 8.433 2 2H LYS 1 3H LYS 1 -8.875 3.675 7.796 3 3H LYS 1 2H LYS 1 -9.450 4.124 9.331 4 HA LYS 1 HA LYS 1 -7.494 3.725 10.366 5 1HB LYS 1 2HB LYS 1 -7.112 2.061 7.860 6 2HB LYS 1 1HB LYS 1 -6.494 1.703 9.474 7 1HG LYS 1 2HG LYS 1 -9.429 1.891 8.728 8 2HG LYS 1 1HG LYS 1 -8.535 0.390 8.976 9 1HD LYS 1 2HD LYS 1 -8.779 0.540 11.210 10 2HD LYS 1 1HD LYS 1 -8.144 2.185 11.216 11 1HE LYS 1 2HE LYS 1 -10.212 3.101 11.321 12 2HE LYS 1 1HE LYS 1 -10.853 1.997 10.104 13 1HZ LYS 1 3HZ LYS 1 -10.275 1.131 12.874 14 2HZ LYS 1 2HZ LYS 1 -11.780 1.778 12.425 15 3HZ LYS 1 1HZ LYS 1 -11.219 0.345 11.705 16 H LYS 2 H LYS 2 -4.982 3.397 10.009 17 HA LYS 2 HA LYS 2 -4.077 5.466 8.052 18 1HB LYS 2 2HB LYS 2 -2.696 6.464 9.631 19 2HB LYS 2 1HB LYS 2 -4.045 5.968 10.650 20 1HG LYS 2 2HG LYS 2 -2.403 5.008 11.911 21 2HG LYS 2 1HG LYS 2 -2.516 3.712 10.719 22 1HD LYS 2 2HD LYS 2 -0.173 4.414 11.026 23 2HD LYS 2 1HD LYS 2 -0.726 4.777 9.392 24 1HE LYS 2 2HE LYS 2 -0.120 6.919 9.733 25 2HE LYS 2 1HE LYS 2 -1.404 7.034 10.935 26 1HZ LYS 2 1HZ LYS 2 0.429 5.827 12.381 27 2HZ LYS 2 3HZ LYS 2 1.462 6.635 11.307 28 3HZ LYS 2 2HZ LYS 2 0.356 7.519 12.246 29 H ALA 3 H ALA 3 -2.171 5.006 6.919 30 HA ALA 3 HA ALA 3 -0.872 2.389 7.496 31 1HB ALA 3 2HB ALA 3 -2.340 3.207 5.085 32 2HB ALA 3 1HB ALA 3 -0.713 2.614 4.746 33 3HB ALA 3 3HB ALA 3 -1.861 1.594 5.615 34 H VAL 4 H VAL 4 1.335 2.486 7.375 35 HA VAL 4 HA VAL 4 2.538 4.951 6.196 36 HB VAL 4 HB VAL 4 3.278 3.548 8.781 37 1HG1 VAL 4 1HG1 VAL 4 4.974 4.874 6.956 38 2HG1 VAL 4 3HG1 VAL 4 4.680 6.023 8.261 39 3HG1 VAL 4 2HG1 VAL 4 5.344 4.430 8.622 40 1HG2 VAL 4 3HG2 VAL 4 1.415 5.535 8.283 41 2HG2 VAL 4 2HG2 VAL 4 2.192 5.237 9.837 42 3HG2 VAL 4 1HG2 VAL 4 2.848 6.452 8.741 43 H ILE 5 H ILE 5 3.916 4.428 4.603 44 HA ILE 5 HA ILE 5 4.913 1.654 4.382 45 HB ILE 5 HB ILE 5 5.398 3.920 2.446 46 1HG1 ILE 5 2HG1 ILE 5 2.901 3.476 3.174 47 2HG1 ILE 5 1HG1 ILE 5 3.294 3.654 1.475 48 1HG2 ILE 5 2HG2 ILE 5 5.830 1.025 2.508 49 2HG2 ILE 5 1HG2 ILE 5 4.978 1.562 1.060 50 3HG2 ILE 5 3HG2 ILE 5 6.550 2.251 1.462 51 1HD1 ILE 5 2HD1 ILE 5 3.578 0.897 2.412 52 2HD1 ILE 5 1HD1 ILE 5 1.938 1.521 2.588 53 3HD1 ILE 5 3HD1 ILE 5 2.717 1.527 1.005 54 H ASN 6 H ASN 6 6.700 1.345 5.607 55 HA ASN 6 HA ASN 6 8.770 3.485 5.628 56 1HB ASN 6 2HB ASN 6 8.982 1.086 7.391 57 2HB ASN 6 1HB ASN 6 9.390 2.771 7.740 58 1HD2 ASN 6 2HD2 ASN 6 6.203 1.747 9.538 59 2HD2 ASN 6 1HD2 ASN 6 7.744 1.041 9.460 60 H GLY 7 H GLY 7 9.808 2.988 3.657 61 1HA GLY 7 2HA GLY 7 10.414 0.323 2.812 62 2HA GLY 7 1HA GLY 7 11.182 1.789 2.189 63 H GLU 8 H GLU 8 11.680 2.193 5.316 64 HA GLU 8 HA GLU 8 14.425 1.359 5.208 65 1HB GLU 8 2HB GLU 8 13.730 3.283 6.573 66 2HB GLU 8 1HB GLU 8 12.745 2.222 7.578 67 1HG GLU 8 2HG GLU 8 14.540 1.812 8.867 68 2HG GLU 8 1HG GLU 8 15.346 1.083 7.477 69 H GLN 9 H GLN 9 11.519 -0.176 6.070 70 HA GLN 9 HA GLN 9 13.004 -2.448 7.310 71 1HB GLN 9 2HB GLN 9 11.093 -1.112 8.583 72 2HB GLN 9 1HB GLN 9 10.040 -2.129 7.599 73 1HG GLN 9 2HG GLN 9 10.356 -3.800 9.075 74 2HG GLN 9 1HG GLN 9 12.056 -3.837 8.605 75 1HE2 GLN 9 2HE2 GLN 9 12.586 -3.117 12.068 76 2HE2 GLN 9 1HE2 GLN 9 12.577 -4.358 10.909 77 H ILE 10 H ILE 10 10.957 -1.390 4.757 78 HA ILE 10 HA ILE 10 9.952 -3.974 3.981 79 HB ILE 10 HB ILE 10 10.515 -1.609 2.164 80 1HG1 ILE 10 2HG1 ILE 10 9.039 -0.802 3.864 81 2HG1 ILE 10 1HG1 ILE 10 8.000 -1.238 2.512 82 1HG2 ILE 10 3HG2 ILE 10 9.999 -4.082 1.368 83 2HG2 ILE 10 2HG2 ILE 10 8.349 -3.663 1.827 84 3HG2 ILE 10 1HG2 ILE 10 9.186 -2.718 0.592 85 1HD1 ILE 10 3HD1 ILE 10 8.130 -3.607 3.842 86 2HD1 ILE 10 2HD1 ILE 10 8.226 -2.472 5.187 87 3HD1 ILE 10 1HD1 ILE 10 6.851 -2.418 4.082 88 H ARG 11 H ARG 11 11.596 -5.458 3.984 89 HA ARG 11 HA ARG 11 14.231 -5.168 3.064 90 1HB ARG 11 2HB ARG 11 13.018 -7.755 2.307 91 2HB ARG 11 1HB ARG 11 14.419 -7.424 3.331 92 1HG ARG 11 2HG ARG 11 12.771 -6.632 5.108 93 2HG ARG 11 1HG ARG 11 11.500 -7.328 4.095 94 1HD ARG 11 2HD ARG 11 12.157 -9.496 4.516 95 2HD ARG 11 1HD ARG 11 13.857 -9.058 4.688 96 HE ARG 11 HE ARG 11 11.809 -8.563 6.814 97 1HH1 ARG 11 1HH2 ARG 11 14.465 -7.128 6.981 98 2HH1 ARG 11 2HH2 ARG 11 15.375 -8.196 7.996 99 1HH2 ARG 11 2HH1 ARG 11 13.206 -10.869 7.577 100 2HH2 ARG 11 1HH1 ARG 11 14.663 -10.314 8.333 101 H SER 12 H SER 12 11.345 -6.124 1.195 102 HA SER 12 HA SER 12 12.169 -4.731 -1.150 103 1HB SER 12 2HB SER 12 14.004 -6.241 -1.383 104 2HB SER 12 1HB SER 12 12.991 -7.636 -1.028 105 HG SER 12 HG SER 12 13.407 -7.332 -3.286 106 H ILE 13 H ILE 13 9.796 -4.483 -0.606 107 HA ILE 13 HA ILE 13 7.626 -4.705 -1.410 108 HB ILE 13 HB ILE 13 8.950 -5.645 -3.485 109 1HG1 ILE 13 2HG1 ILE 13 6.562 -4.677 -3.239 110 2HG1 ILE 13 1HG1 ILE 13 6.909 -5.667 -4.654 111 1HG2 ILE 13 1HG2 ILE 13 8.187 -8.103 -2.106 112 2HG2 ILE 13 3HG2 ILE 13 7.508 -8.015 -3.724 113 3HG2 ILE 13 2HG2 ILE 13 9.247 -7.878 -3.487 114 1HD1 ILE 13 2HD1 ILE 13 5.990 -7.646 -3.425 115 2HD1 ILE 13 1HD1 ILE 13 5.530 -6.561 -2.115 116 3HD1 ILE 13 3HD1 ILE 13 4.797 -6.383 -3.707 117 H SER 14 H SER 14 9.196 -7.686 -0.264 118 HA SER 14 HA SER 14 6.803 -9.080 0.392 119 1HB SER 14 2HB SER 14 8.458 -9.944 2.329 120 2HB SER 14 1HB SER 14 8.612 -10.476 0.657 121 HG SER 14 HG SER 14 10.570 -9.707 0.954 122 H ASP 15 H ASP 15 8.923 -7.257 2.614 123 HA ASP 15 HA ASP 15 7.058 -7.153 4.751 124 1HB ASP 15 2HB ASP 15 9.626 -5.931 4.027 125 2HB ASP 15 1HB ASP 15 8.623 -4.906 5.045 126 H LEU 16 H LEU 16 7.183 -5.459 1.795 127 HA LEU 16 HA LEU 16 5.863 -3.024 2.615 128 1HB LEU 16 2HB LEU 16 7.112 -3.201 0.496 129 2HB LEU 16 1HB LEU 16 5.950 -4.390 -0.091 130 HG LEU 16 HG LEU 16 4.443 -2.786 -0.661 131 1HD1 LEU 16 2HD1 LEU 16 5.150 -1.470 1.973 132 2HD1 LEU 16 1HD1 LEU 16 4.114 -0.675 0.788 133 3HD1 LEU 16 3HD1 LEU 16 3.621 -2.211 1.499 134 1HD2 LEU 16 1HD2 LEU 16 6.802 -1.913 -1.297 135 2HD2 LEU 16 3HD2 LEU 16 5.436 -0.802 -1.406 136 3HD2 LEU 16 2HD2 LEU 16 6.529 -0.727 -0.022 137 H HIS 17 H HIS 17 4.634 -5.659 0.592 138 HA HIS 17 HA HIS 17 1.901 -4.999 0.945 139 1HB HIS 17 2HB HIS 17 3.227 -7.616 0.211 140 2HB HIS 17 1HB HIS 17 1.485 -7.326 0.098 141 HD1 HIS 17 HD1 HIS 17 0.949 -6.845 -2.304 142 HD2 HIS 17 HD2 HIS 17 4.509 -5.016 -1.140 143 HE1 HIS 17 HE1 HIS 17 1.742 -5.473 -4.284 144 H GLN 18 H GLN 18 4.097 -6.560 3.042 145 HA GLN 18 HA GLN 18 2.023 -7.878 4.644 146 1HB GLN 18 2HB GLN 18 4.974 -7.374 5.116 147 2HB GLN 18 1HB GLN 18 3.937 -8.209 6.273 148 1HG GLN 18 2HG GLN 18 3.301 -9.730 4.260 149 2HG GLN 18 1HG GLN 18 4.761 -9.085 3.511 150 1HE2 GLN 18 2HE2 GLN 18 6.469 -11.716 5.167 151 2HE2 GLN 18 1HE2 GLN 18 5.966 -11.087 3.672 152 H THR 19 H THR 19 3.859 -4.946 4.575 153 HA THR 19 HA THR 19 3.060 -3.930 7.149 154 HB THR 19 HB THR 19 4.360 -2.816 4.690 155 HG1 THR 19 HG1 THR 19 5.923 -3.257 5.994 156 1HG2 THR 19 2HG2 THR 19 2.720 -1.262 6.579 157 2HG2 THR 19 1HG2 THR 19 4.356 -0.643 6.360 158 3HG2 THR 19 3HG2 THR 19 3.291 -0.833 4.965 159 H LEU 20 H LEU 20 1.720 -3.856 3.949 160 HA LEU 20 HA LEU 20 -0.404 -1.944 4.672 161 1HB LEU 20 2HB LEU 20 -0.583 -3.778 2.291 162 2HB LEU 20 1HB LEU 20 -1.139 -2.108 2.453 163 HG LEU 20 HG LEU 20 1.768 -2.879 2.511 164 1HD1 LEU 20 2HD1 LEU 20 -0.059 -2.740 0.267 165 2HD1 LEU 20 1HD1 LEU 20 1.243 -1.560 0.114 166 3HD1 LEU 20 3HD1 LEU 20 1.622 -3.271 0.306 167 1HD2 LEU 20 3HD2 LEU 20 0.858 -0.660 3.479 168 2HD2 LEU 20 2HD2 LEU 20 2.186 -0.561 2.323 169 3HD2 LEU 20 1HD2 LEU 20 0.535 -0.224 1.798 170 H LYS 21 H LYS 21 0.098 -5.377 4.293 171 HA LYS 21 HA LYS 21 -2.624 -6.199 4.742 172 1HB LYS 21 2HB LYS 21 -1.124 -7.836 3.858 173 2HB LYS 21 1HB LYS 21 0.038 -7.580 5.164 174 1HG LYS 21 2HG LYS 21 -1.192 -8.811 6.677 175 2HG LYS 21 1HG LYS 21 -2.730 -8.388 5.925 176 1HD LYS 21 2HD LYS 21 -2.447 -9.976 4.188 177 2HD LYS 21 1HD LYS 21 -0.727 -10.164 4.530 178 1HE LYS 21 2HE LYS 21 -2.979 -10.996 6.384 179 2HE LYS 21 1HE LYS 21 -2.029 -12.091 5.380 180 1HZ LYS 21 2HZ LYS 21 -0.175 -10.599 6.726 181 2HZ LYS 21 1HZ LYS 21 -1.371 -10.912 7.891 182 3HZ LYS 21 3HZ LYS 21 -0.625 -12.200 7.079 183 H LYS 22 H LYS 22 -0.050 -5.087 6.819 184 HA LYS 22 HA LYS 22 -1.444 -6.006 9.252 185 1HB LYS 22 2HB LYS 22 0.526 -5.627 10.351 186 2HB LYS 22 1HB LYS 22 1.199 -5.670 8.725 187 1HG LYS 22 2HG LYS 22 0.847 -3.157 8.628 188 2HG LYS 22 1HG LYS 22 0.459 -3.220 10.346 189 1HD LYS 22 2HD LYS 22 2.770 -4.630 10.348 190 2HD LYS 22 1HD LYS 22 3.076 -3.553 8.985 191 1HE LYS 22 2HE LYS 22 3.517 -1.873 10.412 192 2HE LYS 22 1HE LYS 22 1.887 -2.005 11.069 193 1HZ LYS 22 2HZ LYS 22 3.889 -3.965 11.919 194 2HZ LYS 22 1HZ LYS 22 3.984 -2.396 12.563 195 3HZ LYS 22 3HZ LYS 22 2.576 -3.315 12.779 196 H GLU 23 H GLU 23 -0.954 -3.014 7.416 197 HA GLU 23 HA GLU 23 -2.169 -1.340 9.476 198 1HB GLU 23 2HB GLU 23 -1.734 -0.739 6.543 199 2HB GLU 23 1HB GLU 23 -2.067 0.440 7.811 200 1HG GLU 23 2HG GLU 23 0.057 0.296 8.696 201 2HG GLU 23 1HG GLU 23 0.265 -1.384 8.201 202 H LEU 24 H LEU 24 -3.185 -2.102 6.200 203 HA LEU 24 HA LEU 24 -5.903 -1.316 6.539 204 1HB LEU 24 2HB LEU 24 -4.943 -3.430 4.599 205 2HB LEU 24 1HB LEU 24 -6.295 -2.316 4.406 206 HG LEU 24 HG LEU 24 -3.512 -1.234 4.762 207 1HD1 LEU 24 3HD1 LEU 24 -4.617 -2.666 2.412 208 2HD1 LEU 24 2HD1 LEU 24 -3.787 -1.144 2.087 209 3HD1 LEU 24 1HD1 LEU 24 -2.941 -2.451 2.919 210 1HD2 LEU 24 3HD2 LEU 24 -5.979 -0.073 4.578 211 2HD2 LEU 24 2HD2 LEU 24 -4.466 0.725 4.157 212 3HD2 LEU 24 1HD2 LEU 24 -5.445 -0.028 2.898 213 H ALA 25 H ALA 25 -4.144 -4.212 7.321 214 HA ALA 25 HA ALA 25 -4.831 -6.009 8.683 215 1HB ALA 25 2HB ALA 25 -6.733 -4.023 9.193 216 2HB ALA 25 1HB ALA 25 -7.682 -5.450 8.771 217 3HB ALA 25 3HB ALA 25 -6.519 -5.526 10.094 218 H LEU 26 H LEU 26 -4.490 -6.613 6.137 219 HA LEU 26 HA LEU 26 -6.948 -7.656 4.915 220 1HB LEU 26 2HB LEU 26 -4.118 -8.254 4.020 221 2HB LEU 26 1HB LEU 26 -5.590 -8.202 3.046 222 HG LEU 26 HG LEU 26 -4.431 -5.789 4.462 223 1HD1 LEU 26 3HD1 LEU 26 -3.702 -7.080 1.953 224 2HD1 LEU 26 2HD1 LEU 26 -4.257 -5.426 1.699 225 3HD1 LEU 26 1HD1 LEU 26 -2.912 -5.746 2.795 226 1HD2 LEU 26 1HD2 LEU 26 -6.955 -6.359 3.226 227 2HD2 LEU 26 3HD2 LEU 26 -6.400 -4.835 3.920 228 3HD2 LEU 26 2HD2 LEU 26 -6.098 -5.192 2.220 229 HA PRO 27 HA PRO 27 -6.699 -11.705 6.550 230 1HB PRO 27 2HB PRO 27 -7.542 -13.207 4.409 231 2HB PRO 27 1HB PRO 27 -8.621 -12.190 5.383 232 1HG PRO 27 2HG PRO 27 -7.553 -11.708 2.643 233 2HG PRO 27 1HG PRO 27 -9.048 -11.112 3.384 234 1HD PRO 27 2HD PRO 27 -6.656 -9.642 3.034 235 2HD PRO 27 1HD PRO 27 -8.031 -9.168 4.055 236 H GLU 28 H GLU 28 -6.062 -14.124 5.487 237 HA GLU 28 HA GLU 28 -3.166 -13.932 5.156 238 1HB GLU 28 2HB GLU 28 -4.038 -15.734 6.512 239 2HB GLU 28 1HB GLU 28 -5.082 -16.278 5.195 240 1HG GLU 28 2HG GLU 28 -3.265 -17.069 3.918 241 2HG GLU 28 1HG GLU 28 -2.093 -16.123 4.836 242 H TYR 29 H TYR 29 -5.851 -15.221 3.172 243 HA TYR 29 HA TYR 29 -4.238 -15.899 0.925 244 1HB TYR 29 2HB TYR 29 -6.357 -15.888 -0.349 245 2HB TYR 29 1HB TYR 29 -6.533 -16.728 1.196 246 HD1 TYR 29 HD2 TYR 29 -6.873 -13.280 -0.271 247 HD2 TYR 29 HD1 TYR 29 -8.296 -16.148 2.597 248 HE1 TYR 29 HE2 TYR 29 -8.707 -11.738 0.362 249 HE2 TYR 29 HE1 TYR 29 -10.129 -14.602 3.230 250 HH TYR 29 HH TYR 29 -10.760 -11.663 1.427 251 H TYR 30 H TYR 30 -5.054 -12.864 2.165 252 HA TYR 30 HA TYR 30 -5.520 -11.095 0.159 253 1HB TYR 30 2HB TYR 30 -5.023 -10.137 2.261 254 2HB TYR 30 1HB TYR 30 -3.461 -10.949 2.362 255 HD1 TYR 30 HD1 TYR 30 -5.109 -8.904 -0.319 256 HD2 TYR 30 HD2 TYR 30 -1.738 -9.370 2.303 257 HE1 TYR 30 HE1 TYR 30 -4.016 -6.944 -1.374 258 HE2 TYR 30 HE2 TYR 30 -0.644 -7.413 1.244 259 HH TYR 30 HH TYR 30 -1.428 -5.336 -0.028 260 H GLY 31 H GLY 31 -4.715 -10.772 -1.836 261 1HA GLY 31 2HA GLY 31 -2.233 -12.099 -2.656 262 2HA GLY 31 1HA GLY 31 -3.300 -11.152 -3.704 263 H GLU 32 H GLU 32 -0.286 -11.109 -2.989 264 HA GLU 32 HA GLU 32 0.006 -8.395 -1.905 265 1HB GLU 32 2HB GLU 32 2.351 -8.844 -1.904 266 2HB GLU 32 1HB GLU 32 1.565 -10.348 -1.422 267 1HG GLU 32 2HG GLU 32 2.622 -11.384 -3.114 268 2HG GLU 32 1HG GLU 32 1.672 -10.412 -4.239 269 H ASN 33 H ASN 33 -1.462 -7.950 -4.032 270 HA ASN 33 HA ASN 33 0.410 -6.673 -5.921 271 1HB ASN 33 2HB ASN 33 -1.271 -7.623 -7.778 272 2HB ASN 33 1HB ASN 33 0.171 -8.514 -7.289 273 1HD2 ASN 33 2HD2 ASN 33 -3.198 -9.786 -5.326 274 2HD2 ASN 33 1HD2 ASN 33 -2.796 -8.137 -5.325 275 H LEU 34 H LEU 34 -1.240 -5.643 -7.745 276 HA LEU 34 HA LEU 34 -2.831 -3.763 -6.174 277 1HB LEU 34 2HB LEU 34 -3.409 -2.918 -8.577 278 2HB LEU 34 1HB LEU 34 -1.769 -2.704 -7.970 279 HG LEU 34 HG LEU 34 -2.213 -5.295 -9.291 280 1HD1 LEU 34 3HD1 LEU 34 -3.291 -2.963 -10.530 281 2HD1 LEU 34 2HD1 LEU 34 -1.818 -3.393 -11.399 282 3HD1 LEU 34 1HD1 LEU 34 -3.114 -4.575 -11.223 283 1HD2 LEU 34 1HD2 LEU 34 -0.195 -3.047 -9.353 284 2HD2 LEU 34 3HD2 LEU 34 0.015 -4.685 -8.738 285 3HD2 LEU 34 2HD2 LEU 34 -0.094 -4.405 -10.476 286 H ASP 35 H ASP 35 -3.469 -6.774 -7.618 287 HA ASP 35 HA ASP 35 -6.250 -6.200 -8.299 288 1HB ASP 35 2HB ASP 35 -6.219 -8.868 -8.159 289 2HB ASP 35 1HB ASP 35 -5.647 -8.000 -9.578 290 H ALA 36 H ALA 36 -4.646 -8.175 -5.764 291 HA ALA 36 HA ALA 36 -7.138 -8.507 -4.317 292 1HB ALA 36 3HB ALA 36 -4.822 -9.884 -4.270 293 2HB ALA 36 2HB ALA 36 -4.554 -8.827 -2.883 294 3HB ALA 36 1HB ALA 36 -5.957 -9.898 -2.919 295 H LEU 37 H LEU 37 -4.445 -6.313 -4.222 296 HA LEU 37 HA LEU 37 -5.136 -5.034 -1.722 297 1HB LEU 37 2HB LEU 37 -2.893 -4.816 -2.763 298 2HB LEU 37 1HB LEU 37 -3.621 -3.915 -4.092 299 HG LEU 37 HG LEU 37 -4.589 -2.659 -1.792 300 1HD1 LEU 37 3HD1 LEU 37 -1.641 -3.324 -1.535 301 2HD1 LEU 37 2HD1 LEU 37 -2.472 -2.092 -0.584 302 3HD1 LEU 37 1HD1 LEU 37 -2.924 -3.790 -0.417 303 1HD2 LEU 37 3HD2 LEU 37 -2.390 -2.008 -3.758 304 2HD2 LEU 37 2HD2 LEU 37 -4.050 -1.417 -3.740 305 3HD2 LEU 37 1HD2 LEU 37 -2.910 -0.864 -2.521 306 H TRP 38 H TRP 38 -5.591 -4.054 -5.129 307 HA TRP 38 HA TRP 38 -7.242 -1.807 -4.608 308 1HB TRP 38 2HB TRP 38 -6.332 -2.266 -6.831 309 2HB TRP 38 1HB TRP 38 -7.214 -3.781 -6.895 310 HD1 TRP 38 HD1 TRP 38 -9.152 -3.665 -8.383 311 HE1 TRP 38 HE1 TRP 38 -10.917 -1.921 -9.080 312 HE3 TRP 38 HE3 TRP 38 -7.603 0.340 -5.602 313 HZ2 TRP 38 HZ2 TRP 38 -11.565 0.806 -8.552 314 HZ3 TRP 38 HZ3 TRP 38 -8.785 2.497 -5.751 315 HH2 TRP 38 HH2 TRP 38 -10.776 2.737 -7.209 316 H ASP 39 H ASP 39 -7.939 -5.208 -4.987 317 HA ASP 39 HA ASP 39 -10.779 -5.043 -4.774 318 1HB ASP 39 2HB ASP 39 -8.739 -7.148 -4.590 319 2HB ASP 39 1HB ASP 39 -10.157 -7.447 -3.580 320 H ALA 40 H ALA 40 -8.213 -5.026 -2.404 321 HA ALA 40 HA ALA 40 -10.075 -5.277 -0.145 322 1HB ALA 40 1HB ALA 40 -7.570 -5.984 -0.197 323 2HB ALA 40 3HB ALA 40 -7.247 -4.274 0.101 324 3HB ALA 40 2HB ALA 40 -8.199 -5.207 1.259 325 H LEU 41 H LEU 41 -7.701 -2.712 -0.855 326 HA LEU 41 HA LEU 41 -8.588 -0.630 0.621 327 1HB LEU 41 2HB LEU 41 -7.562 -0.715 -2.176 328 2HB LEU 41 1HB LEU 41 -8.227 0.811 -1.596 329 HG LEU 41 HG LEU 41 -6.348 -0.589 0.234 330 1HD1 LEU 41 1HD1 LEU 41 -5.311 -0.820 -2.060 331 2HD1 LEU 41 3HD1 LEU 41 -5.355 0.941 -2.198 332 3HD1 LEU 41 2HD1 LEU 41 -4.366 0.175 -0.948 333 1HD2 LEU 41 3HD2 LEU 41 -7.530 1.739 0.459 334 2HD2 LEU 41 2HD2 LEU 41 -5.837 1.574 0.938 335 3HD2 LEU 41 1HD2 LEU 41 -6.248 2.283 -0.625 336 H THR 42 H THR 42 -9.861 -1.027 -2.653 337 HA THR 42 HA THR 42 -12.273 0.485 -1.892 338 HB THR 42 HB THR 42 -11.176 0.797 -4.126 339 HG1 THR 42 HG1 THR 42 -13.229 0.453 -5.293 340 1HG2 THR 42 1HG2 THR 42 -11.579 -2.101 -4.161 341 2HG2 THR 42 3HG2 THR 42 -12.179 -1.308 -5.619 342 3HG2 THR 42 2HG2 THR 42 -10.495 -1.105 -5.134 343 H GLY 43 H GLY 43 -12.326 -1.651 -0.309 344 1HA GLY 43 2HA GLY 43 -14.723 -2.895 -0.492 345 2HA GLY 43 1HA GLY 43 -13.758 -3.881 -1.593 346 H TRP 44 H TRP 44 -12.472 -2.378 1.357 347 HA TRP 44 HA TRP 44 -12.780 -4.634 3.088 348 1HB TRP 44 2HB TRP 44 -11.296 -5.806 1.544 349 2HB TRP 44 1HB TRP 44 -10.150 -4.466 1.593 350 HD1 TRP 44 HD1 TRP 44 -9.230 -3.878 4.192 351 HE1 TRP 44 HE1 TRP 44 -8.487 -5.553 6.006 352 HE3 TRP 44 HE3 TRP 44 -11.498 -8.112 2.466 353 HZ2 TRP 44 HZ2 TRP 44 -8.813 -8.323 6.642 354 HZ3 TRP 44 HZ3 TRP 44 -11.269 -10.253 3.693 355 HH2 TRP 44 HH2 TRP 44 -9.929 -10.365 5.777 356 H VAL 45 H VAL 45 -10.596 -2.073 2.046 357 HA VAL 45 HA VAL 45 -9.523 -1.464 4.631 358 HB VAL 45 HB VAL 45 -9.694 -0.100 1.968 359 1HG1 VAL 45 2HG1 VAL 45 -8.807 1.205 4.546 360 2HG1 VAL 45 1HG1 VAL 45 -8.400 1.816 2.943 361 3HG1 VAL 45 3HG1 VAL 45 -10.085 1.746 3.457 362 1HG2 VAL 45 1HG2 VAL 45 -7.452 -0.941 3.826 363 2HG2 VAL 45 3HG2 VAL 45 -7.930 -1.732 2.324 364 3HG2 VAL 45 2HG2 VAL 45 -7.205 -0.124 2.282 365 H GLU 46 H GLU 46 -10.002 0.580 5.833 366 HA GLU 46 HA GLU 46 -12.905 1.282 5.658 367 1HB GLU 46 2HB GLU 46 -11.827 0.031 7.764 368 2HB GLU 46 1HB GLU 46 -11.379 1.682 8.198 369 1HG GLU 46 2HG GLU 46 -13.464 1.820 9.077 370 2HG GLU 46 1HG GLU 46 -13.998 1.985 7.403 371 H TYR 47 H TYR 47 -12.939 3.223 4.633 372 HA TYR 47 HA TYR 47 -10.790 5.174 5.067 373 1HB TYR 47 2HB TYR 47 -13.312 5.380 3.400 374 2HB TYR 47 1HB TYR 47 -11.906 6.446 3.303 375 HD1 TYR 47 HD2 TYR 47 -9.578 4.883 3.285 376 HD2 TYR 47 HD1 TYR 47 -13.413 3.866 1.633 377 HE1 TYR 47 HE2 TYR 47 -8.482 3.291 1.718 378 HE2 TYR 47 HE1 TYR 47 -12.313 2.289 0.064 379 HH TYR 47 HH TYR 47 -9.979 2.075 -0.971 380 HA PRO 48 HA PRO 48 -11.059 7.589 4.417 381 1HB PRO 48 2HB PRO 48 -9.892 9.469 6.053 382 2HB PRO 48 1HB PRO 48 -11.377 9.743 5.122 383 1HG PRO 48 2HG PRO 48 -11.061 9.199 8.049 384 2HG PRO 48 1HG PRO 48 -12.298 10.153 7.210 385 1HD PRO 48 2HD PRO 48 -12.683 7.559 8.175 386 2HD PRO 48 1HD PRO 48 -13.672 8.328 6.912 387 H LEU 49 H LEU 49 -9.027 6.874 4.023 388 HA LEU 49 HA LEU 49 -7.543 5.602 6.284 389 1HB LEU 49 2HB LEU 49 -8.133 3.919 4.713 390 2HB LEU 49 1HB LEU 49 -7.777 4.968 3.342 391 HG LEU 49 HG LEU 49 -5.328 4.933 4.263 392 1HD1 LEU 49 3HD1 LEU 49 -6.426 3.539 6.303 393 2HD1 LEU 49 2HD1 LEU 49 -5.990 2.207 5.234 394 3HD1 LEU 49 1HD1 LEU 49 -4.750 3.331 5.793 395 1HD2 LEU 49 3HD2 LEU 49 -6.862 3.077 2.594 396 2HD2 LEU 49 2HD2 LEU 49 -5.319 3.873 2.268 397 3HD2 LEU 49 1HD2 LEU 49 -5.365 2.386 3.220 398 H VAL 50 H VAL 50 -5.220 5.815 6.254 399 HA VAL 50 HA VAL 50 -4.274 8.205 4.727 400 HB VAL 50 HB VAL 50 -3.710 7.221 7.514 401 1HG1 VAL 50 1HG1 VAL 50 -1.733 8.422 5.625 402 2HG1 VAL 50 3HG1 VAL 50 -1.753 9.046 7.274 403 3HG1 VAL 50 2HG1 VAL 50 -1.465 7.331 6.984 404 1HG2 VAL 50 2HG2 VAL 50 -4.945 9.466 6.269 405 2HG2 VAL 50 1HG2 VAL 50 -4.739 9.160 7.995 406 3HG2 VAL 50 3HG2 VAL 50 -3.503 10.047 7.102 407 H LEU 51 H LEU 51 -2.273 7.968 3.627 408 HA LEU 51 HA LEU 51 -1.021 5.266 3.796 409 1HB LEU 51 2HB LEU 51 -2.464 5.344 1.765 410 2HB LEU 51 1HB LEU 51 -1.574 6.771 1.224 411 HG LEU 51 HG LEU 51 0.539 5.289 1.481 412 1HD1 LEU 51 3HD1 LEU 51 -1.606 3.407 2.043 413 2HD1 LEU 51 2HD1 LEU 51 -0.559 2.858 0.720 414 3HD1 LEU 51 1HD1 LEU 51 0.128 3.237 2.310 415 1HD2 LEU 51 2HD2 LEU 51 -0.450 6.044 -0.664 416 2HD2 LEU 51 1HD2 LEU 51 0.287 4.447 -0.772 417 3HD2 LEU 51 3HD2 LEU 51 -1.469 4.597 -0.657 418 H GLU 52 H GLU 52 0.184 6.965 5.244 419 HA GLU 52 HA GLU 52 1.851 8.939 4.003 420 1HB GLU 52 2HB GLU 52 1.563 9.095 6.362 421 2HB GLU 52 1HB GLU 52 2.025 7.409 6.606 422 1HG GLU 52 2HG GLU 52 4.255 7.880 6.539 423 2HG GLU 52 1HG GLU 52 4.063 9.077 5.257 424 H TRP 53 H TRP 53 2.706 7.790 2.103 425 HA TRP 53 HA TRP 53 4.296 5.405 2.474 426 1HB TRP 53 2HB TRP 53 3.143 6.322 0.298 427 2HB TRP 53 1HB TRP 53 4.672 7.187 0.095 428 HD1 TRP 53 HD1 TRP 53 6.914 5.440 0.598 429 HE1 TRP 53 HE1 TRP 53 7.258 3.082 -0.387 430 HE3 TRP 53 HE3 TRP 53 2.118 4.339 -0.729 431 HZ2 TRP 53 HZ2 TRP 53 5.692 1.013 -1.576 432 HZ3 TRP 53 HZ3 TRP 53 1.562 2.173 -1.783 433 HH2 TRP 53 HH2 TRP 53 3.349 0.499 -2.209 434 H ARG 54 H ARG 54 5.965 5.801 3.959 435 HA ARG 54 HA ARG 54 7.554 8.181 4.019 436 1HB ARG 54 2HB ARG 54 8.509 5.452 4.903 437 2HB ARG 54 1HB ARG 54 8.955 7.027 5.560 438 1HG ARG 54 2HG ARG 54 6.074 6.617 5.638 439 2HG ARG 54 1HG ARG 54 6.933 5.352 6.518 440 1HD ARG 54 2HD ARG 54 6.310 7.589 7.750 441 2HD ARG 54 1HD ARG 54 7.894 6.861 8.018 442 HE ARG 54 HE ARG 54 7.524 9.033 5.997 443 1HH1 ARG 54 1HH2 ARG 54 9.940 7.254 7.284 444 2HH1 ARG 54 2HH2 ARG 54 10.827 8.563 7.992 445 1HH2 ARG 54 2HH1 ARG 54 8.292 10.883 7.526 446 2HH2 ARG 54 1HH1 ARG 54 9.894 10.617 8.129 447 H GLN 55 H GLN 55 8.997 8.845 2.527 448 HA GLN 55 HA GLN 55 10.369 8.751 0.605 449 1HB GLN 55 2HB GLN 55 11.532 6.475 2.236 450 2HB GLN 55 1HB GLN 55 12.369 7.384 0.977 451 1HG GLN 55 2HG GLN 55 12.202 9.434 2.276 452 2HG GLN 55 1HG GLN 55 11.222 8.621 3.496 453 1HE2 GLN 55 1HE2 GLN 55 14.192 7.440 1.844 454 2HE2 GLN 55 2HE2 GLN 55 15.090 7.246 3.271 455 H PHE 56 H PHE 56 8.984 8.045 -1.065 456 HA PHE 56 HA PHE 56 8.314 5.234 -1.400 457 1HB PHE 56 2HB PHE 56 7.016 7.301 -2.267 458 2HB PHE 56 1HB PHE 56 8.189 7.306 -3.586 459 HD1 PHE 56 HD2 PHE 56 8.426 5.286 -5.056 460 HD2 PHE 56 HD1 PHE 56 5.290 5.650 -2.147 461 HE1 PHE 56 HE2 PHE 56 7.177 3.466 -6.174 462 HE2 PHE 56 HE1 PHE 56 4.041 3.830 -3.265 463 HZ PHE 56 HZ PHE 56 4.982 2.738 -5.281 464 H GLU 57 H GLU 57 10.835 7.386 -2.584 465 HA GLU 57 HA GLU 57 11.846 6.084 -4.799 466 1HB GLU 57 2HB GLU 57 12.857 7.910 -2.897 467 2HB GLU 57 1HB GLU 57 14.043 6.608 -2.994 468 1HG GLU 57 2HG GLU 57 13.647 6.875 -5.598 469 2HG GLU 57 1HG GLU 57 13.121 8.492 -5.133 470 H GLN 58 H GLN 58 13.025 5.311 -1.500 471 HA GLN 58 HA GLN 58 14.184 2.811 -2.349 472 1HB GLN 58 2HB GLN 58 14.152 2.371 0.207 473 2HB GLN 58 1HB GLN 58 15.129 3.714 -0.386 474 1HG GLN 58 2HG GLN 58 13.611 5.325 0.365 475 2HG GLN 58 1HG GLN 58 12.263 4.187 0.387 476 1HE2 GLN 58 2HE2 GLN 58 14.983 3.631 3.421 477 2HE2 GLN 58 1HE2 GLN 58 15.544 3.849 1.833 478 H SER 59 H SER 59 13.454 0.661 -1.554 479 HA SER 59 HA SER 59 11.803 -0.944 -1.004 480 1HB SER 59 2HB SER 59 10.743 1.104 0.278 481 2HB SER 59 1HB SER 59 9.633 1.126 -1.095 482 HG SER 59 HG SER 59 8.901 -0.226 0.612 483 H LYS 60 H LYS 60 11.146 1.564 -3.406 484 HA LYS 60 HA LYS 60 9.421 -0.193 -4.993 485 1HB LYS 60 2HB LYS 60 9.008 2.215 -4.947 486 2HB LYS 60 1HB LYS 60 10.626 2.516 -5.590 487 1HG LYS 60 2HG LYS 60 9.455 0.645 -7.341 488 2HG LYS 60 1HG LYS 60 8.200 1.842 -7.020 489 1HD LYS 60 2HD LYS 60 11.027 2.635 -7.737 490 2HD LYS 60 1HD LYS 60 9.790 2.362 -8.963 491 1HE LYS 60 2HE LYS 60 8.372 4.081 -7.979 492 2HE LYS 60 1HE LYS 60 9.508 4.299 -6.649 493 1HZ LYS 60 3HZ LYS 60 11.076 4.604 -8.817 494 2HZ LYS 60 2HZ LYS 60 9.620 5.301 -9.347 495 3HZ LYS 60 1HZ LYS 60 10.379 5.877 -7.941 496 H GLN 61 H GLN 61 12.822 0.650 -4.899 497 HA GLN 61 HA GLN 61 13.353 -0.252 -7.623 498 1HB GLN 61 2HB GLN 61 15.021 0.662 -5.313 499 2HB GLN 61 1HB GLN 61 15.796 -0.180 -6.655 500 1HG GLN 61 2HG GLN 61 15.087 1.462 -8.231 501 2HG GLN 61 1HG GLN 61 13.950 2.175 -7.085 502 1HE2 GLN 61 2HE2 GLN 61 16.429 4.099 -5.405 503 2HE2 GLN 61 1HE2 GLN 61 14.844 3.497 -5.325 504 H LEU 62 H LEU 62 14.552 -1.446 -4.548 505 HA LEU 62 HA LEU 62 15.662 -3.833 -5.247 506 1HB LEU 62 2HB LEU 62 14.196 -4.633 -3.016 507 2HB LEU 62 1HB LEU 62 15.803 -3.906 -3.000 508 HG LEU 62 HG LEU 62 14.825 -1.679 -2.805 509 1HD1 LEU 62 3HD1 LEU 62 12.465 -3.120 -3.672 510 2HD1 LEU 62 2HD1 LEU 62 12.131 -2.198 -2.219 511 3HD1 LEU 62 1HD1 LEU 62 12.751 -1.380 -3.653 512 1HD2 LEU 62 1HD2 LEU 62 13.726 -3.730 -0.868 513 2HD2 LEU 62 3HD2 LEU 62 15.204 -2.783 -0.700 514 3HD2 LEU 62 2HD2 LEU 62 13.632 -1.989 -0.596 515 H THR 63 H THR 63 12.276 -3.120 -5.456 516 HA THR 63 HA THR 63 11.701 -5.968 -6.103 517 HB THR 63 HB THR 63 10.290 -4.725 -4.392 518 HG1 THR 63 HG1 THR 63 8.294 -5.303 -5.859 519 1HG2 THR 63 1HG2 THR 63 10.146 -2.869 -6.577 520 2HG2 THR 63 3HG2 THR 63 8.523 -3.435 -6.185 521 3HG2 THR 63 2HG2 THR 63 9.523 -2.690 -4.938 522 H GLU 64 H GLU 64 9.245 -4.776 -7.601 523 HA GLU 64 HA GLU 64 10.465 -3.495 -9.925 524 1HB GLU 64 2HB GLU 64 9.595 -5.397 -11.437 525 2HB GLU 64 1HB GLU 64 11.094 -5.696 -10.556 526 1HG GLU 64 2HG GLU 64 10.023 -7.067 -8.959 527 2HG GLU 64 1HG GLU 64 8.422 -6.461 -9.385 528 H ASN 65 H ASN 65 8.787 -1.975 -9.184 529 HA ASN 65 HA ASN 65 6.718 -0.959 -9.703 530 1HB ASN 65 2HB ASN 65 6.863 -3.065 -11.545 531 2HB ASN 65 1HB ASN 65 5.309 -3.281 -10.740 532 1HD2 ASN 65 2HD2 ASN 65 4.890 -0.846 -13.580 533 2HD2 ASN 65 1HD2 ASN 65 5.456 -2.443 -13.480 534 H GLY 66 H GLY 66 7.353 -3.446 -7.640 535 1HA GLY 66 2HA GLY 66 4.813 -4.319 -6.724 536 2HA GLY 66 1HA GLY 66 6.258 -4.215 -5.711 537 H ALA 67 H ALA 67 6.820 -1.867 -5.056 538 HA ALA 67 HA ALA 67 4.680 -0.769 -3.544 539 1HB ALA 67 3HB ALA 67 7.345 0.335 -4.432 540 2HB ALA 67 2HB ALA 67 6.219 1.311 -3.488 541 3HB ALA 67 1HB ALA 67 6.858 -0.192 -2.821 542 H GLU 68 H GLU 68 6.040 0.280 -6.682 543 HA GLU 68 HA GLU 68 4.417 2.550 -7.041 544 1HB GLU 68 2HB GLU 68 6.360 1.843 -8.492 545 2HB GLU 68 1HB GLU 68 5.285 0.660 -9.238 546 1HG GLU 68 2HG GLU 68 5.081 2.499 -10.678 547 2HG GLU 68 1HG GLU 68 3.697 2.704 -9.604 548 H SER 69 H SER 69 3.620 -0.824 -7.219 549 HA SER 69 HA SER 69 1.147 -0.340 -8.727 550 1HB SER 69 2HB SER 69 1.593 -2.506 -9.227 551 2HB SER 69 1HB SER 69 2.702 -2.666 -7.870 552 HG SER 69 HG SER 69 1.155 -3.527 -6.737 553 H VAL 70 H VAL 70 1.893 -1.451 -5.371 554 HA VAL 70 HA VAL 70 -0.756 -1.456 -4.459 555 HB VAL 70 HB VAL 70 1.726 -0.536 -2.963 556 1HG1 VAL 70 3HG1 VAL 70 -1.118 -0.523 -2.270 557 2HG1 VAL 70 2HG1 VAL 70 -0.151 -1.424 -1.116 558 3HG1 VAL 70 1HG1 VAL 70 0.228 0.271 -1.446 559 1HG2 VAL 70 1HG2 VAL 70 1.308 -3.018 -3.861 560 2HG2 VAL 70 3HG2 VAL 70 1.984 -2.738 -2.257 561 3HG2 VAL 70 2HG2 VAL 70 0.269 -3.104 -2.439 562 H LEU 71 H LEU 71 1.488 1.086 -5.165 563 HA LEU 71 HA LEU 71 -0.121 3.128 -3.954 564 1HB LEU 71 2HB LEU 71 2.404 3.222 -4.400 565 2HB LEU 71 1HB LEU 71 1.971 3.602 -6.069 566 HG LEU 71 HG LEU 71 0.864 5.604 -5.437 567 1HD1 LEU 71 2HD1 LEU 71 0.802 4.305 -2.753 568 2HD1 LEU 71 1HD1 LEU 71 0.861 6.070 -2.806 569 3HD1 LEU 71 3HD1 LEU 71 -0.465 5.206 -3.597 570 1HD2 LEU 71 1HD2 LEU 71 3.459 5.426 -5.178 571 2HD2 LEU 71 3HD2 LEU 71 2.638 6.865 -4.576 572 3HD2 LEU 71 2HD2 LEU 71 3.122 5.592 -3.456 573 H GLN 72 H GLN 72 0.366 2.028 -7.336 574 HA GLN 72 HA GLN 72 -1.266 3.983 -8.549 575 1HB GLN 72 2HB GLN 72 -0.555 1.163 -9.176 576 2HB GLN 72 1HB GLN 72 -1.970 1.817 -10.001 577 1HG GLN 72 2HG GLN 72 -0.166 3.883 -10.234 578 2HG GLN 72 1HG GLN 72 0.876 2.466 -10.367 579 1HE2 GLN 72 2HE2 GLN 72 -1.393 1.288 -13.166 580 2HE2 GLN 72 1HE2 GLN 72 -1.124 0.713 -11.591 581 H VAL 73 H VAL 73 -2.078 1.184 -6.667 582 HA VAL 73 HA VAL 73 -4.953 1.394 -7.162 583 HB VAL 73 HB VAL 73 -3.387 -0.256 -5.164 584 1HG1 VAL 73 3HG1 VAL 73 -5.814 0.191 -4.612 585 2HG1 VAL 73 2HG1 VAL 73 -6.222 -0.597 -6.136 586 3HG1 VAL 73 1HG1 VAL 73 -5.416 -1.508 -4.864 587 1HG2 VAL 73 1HG2 VAL 73 -3.656 -0.392 -7.976 588 2HG2 VAL 73 3HG2 VAL 73 -2.964 -1.614 -6.909 589 3HG2 VAL 73 2HG2 VAL 73 -4.683 -1.673 -7.322 590 H PHE 74 H PHE 74 -2.841 2.085 -4.349 591 HA PHE 74 HA PHE 74 -4.805 2.854 -2.534 592 1HB PHE 74 2HB PHE 74 -1.931 3.384 -2.944 593 2HB PHE 74 1HB PHE 74 -2.781 4.639 -2.058 594 HD1 PHE 74 HD2 PHE 74 -3.901 4.144 0.078 595 HD2 PHE 74 HD1 PHE 74 -1.694 1.165 -2.043 596 HE1 PHE 74 HE2 PHE 74 -3.925 2.685 2.074 597 HE2 PHE 74 HE1 PHE 74 -1.718 -0.299 -0.056 598 HZ PHE 74 HZ PHE 74 -2.855 0.474 2.000 599 H ARG 75 H ARG 75 -2.980 4.827 -4.836 600 HA ARG 75 HA ARG 75 -4.485 7.217 -4.502 601 1HB ARG 75 2HB ARG 75 -2.573 6.137 -6.485 602 2HB ARG 75 1HB ARG 75 -3.712 7.317 -7.133 603 1HG ARG 75 2HG ARG 75 -2.898 9.033 -5.826 604 2HG ARG 75 1HG ARG 75 -2.411 7.948 -4.523 605 1HD ARG 75 2HD ARG 75 -0.374 7.491 -5.477 606 2HD ARG 75 1HD ARG 75 -0.997 7.627 -7.122 607 HE ARG 75 HE ARG 75 -0.402 10.003 -5.402 608 1HH1 ARG 75 1HH1 ARG 75 -0.655 10.186 -9.295 609 2HH1 ARG 75 2HH1 ARG 75 -1.763 9.274 -8.325 610 1HH2 ARG 75 1HH2 ARG 75 1.546 10.790 -6.686 611 2HH2 ARG 75 2HH2 ARG 75 1.218 11.043 -8.368 612 H GLU 76 H GLU 76 -4.909 4.409 -6.725 613 HA GLU 76 HA GLU 76 -7.107 5.456 -8.202 614 1HB GLU 76 2HB GLU 76 -6.348 2.657 -7.372 615 2HB GLU 76 1HB GLU 76 -7.810 2.968 -8.307 616 1HG GLU 76 2HG GLU 76 -5.266 4.210 -9.243 617 2HG GLU 76 1HG GLU 76 -5.485 2.480 -9.500 618 H ALA 77 H ALA 77 -6.912 4.292 -4.939 619 HA ALA 77 HA ALA 77 -9.800 3.968 -4.613 620 1HB ALA 77 2HB ALA 77 -7.499 4.013 -2.621 621 2HB ALA 77 1HB ALA 77 -9.169 3.628 -2.205 622 3HB ALA 77 3HB ALA 77 -8.267 2.577 -3.296 623 H LYS 78 H LYS 78 -7.361 6.260 -3.311 624 HA LYS 78 HA LYS 78 -9.378 8.020 -2.232 625 1HB LYS 78 2HB LYS 78 -7.459 8.586 -1.165 626 2HB LYS 78 1HB LYS 78 -6.453 7.953 -2.459 627 1HG LYS 78 2HG LYS 78 -7.913 10.590 -2.715 628 2HG LYS 78 1HG LYS 78 -6.303 10.478 -2.006 629 1HD LYS 78 2HD LYS 78 -6.635 9.058 -4.579 630 2HD LYS 78 1HD LYS 78 -6.756 10.816 -4.672 631 1HE LYS 78 2HE LYS 78 -4.591 10.394 -2.974 632 2HE LYS 78 1HE LYS 78 -4.406 9.146 -4.206 633 1HZ LYS 78 2HZ LYS 78 -4.854 12.027 -4.773 634 2HZ LYS 78 1HZ LYS 78 -3.338 11.259 -4.810 635 3HZ LYS 78 3HZ LYS 78 -4.544 10.805 -5.914 636 H ALA 79 H ALA 79 -8.477 7.331 -5.386 637 HA ALA 79 HA ALA 79 -9.090 10.043 -6.432 638 1HB ALA 79 3HB ALA 79 -7.251 8.340 -7.317 639 2HB ALA 79 2HB ALA 79 -8.629 7.648 -8.182 640 3HB ALA 79 1HB ALA 79 -8.168 9.332 -8.451 641 H GLU 80 H GLU 80 -9.998 6.758 -7.367 642 HA GLU 80 HA GLU 80 -12.333 7.332 -8.748 643 1HB GLU 80 2HB GLU 80 -11.911 4.925 -6.956 644 2HB GLU 80 1HB GLU 80 -12.955 5.036 -8.369 645 1HG GLU 80 2HG GLU 80 -10.192 5.811 -8.940 646 2HG GLU 80 1HG GLU 80 -10.353 4.136 -8.409 647 H GLY 81 H GLY 81 -12.235 6.312 -5.279 648 1HA GLY 81 2HA GLY 81 -14.354 8.275 -4.704 649 2HA GLY 81 1HA GLY 81 -14.878 6.593 -4.598 650 H ALA 82 H ALA 82 -12.440 5.520 -3.551 651 HA ALA 82 HA ALA 82 -12.792 5.569 -0.836 652 1HB ALA 82 2HB ALA 82 -10.814 4.611 -2.535 653 2HB ALA 82 1HB ALA 82 -9.937 5.691 -1.447 654 3HB ALA 82 3HB ALA 82 -10.889 4.358 -0.793 655 H ASP 83 H ASP 83 -11.717 6.677 0.922 656 HA ASP 83 HA ASP 83 -10.984 9.501 0.254 657 1HB ASP 83 2HB ASP 83 -12.435 8.264 2.594 658 2HB ASP 83 1HB ASP 83 -11.563 9.784 2.801 659 H ILE 84 H ILE 84 -8.917 8.071 -0.159 660 HA ILE 84 HA ILE 84 -7.454 7.555 2.372 661 HB ILE 84 HB ILE 84 -6.914 6.791 -0.511 662 1HG1 ILE 84 2HG1 ILE 84 -7.242 4.749 1.584 663 2HG1 ILE 84 1HG1 ILE 84 -8.687 5.715 1.276 664 1HG2 ILE 84 2HG2 ILE 84 -4.858 7.187 1.006 665 2HG2 ILE 84 1HG2 ILE 84 -5.428 5.789 1.920 666 3HG2 ILE 84 3HG2 ILE 84 -4.985 5.616 0.220 667 1HD1 ILE 84 3HD1 ILE 84 -7.861 5.244 -1.267 668 2HD1 ILE 84 2HD1 ILE 84 -7.304 3.772 -0.474 669 3HD1 ILE 84 1HD1 ILE 84 -9.009 4.215 -0.413 670 H THR 85 H THR 85 -5.275 8.375 2.615 671 HA THR 85 HA THR 85 -4.822 10.915 1.111 672 HB THR 85 HB THR 85 -3.425 10.314 3.694 673 HG1 THR 85 HG1 THR 85 -5.535 9.837 4.206 674 1HG2 THR 85 1HG2 THR 85 -3.698 12.503 1.934 675 2HG2 THR 85 3HG2 THR 85 -4.605 12.930 3.385 676 3HG2 THR 85 2HG2 THR 85 -2.901 12.492 3.508 677 H ILE 86 H ILE 86 -3.759 9.698 -0.595 678 HA ILE 86 HA ILE 86 -1.480 8.015 -0.043 679 HB ILE 86 HB ILE 86 -2.853 9.094 -2.438 680 1HG1 ILE 86 2HG1 ILE 86 -2.878 6.837 -3.088 681 2HG1 ILE 86 1HG1 ILE 86 -1.428 6.453 -2.167 682 1HG2 ILE 86 1HG2 ILE 86 0.109 8.734 -2.319 683 2HG2 ILE 86 3HG2 ILE 86 -0.728 8.094 -3.733 684 3HG2 ILE 86 2HG2 ILE 86 -0.853 9.807 -3.335 685 1HD1 ILE 86 2HD1 ILE 86 -3.628 7.436 -0.485 686 2HD1 ILE 86 1HD1 ILE 86 -4.025 5.955 -1.352 687 3HD1 ILE 86 3HD1 ILE 86 -2.621 5.999 -0.282 688 H ILE 87 H ILE 87 0.232 8.908 0.995 689 HA ILE 87 HA ILE 87 1.158 11.594 0.047 690 HB ILE 87 HB ILE 87 1.550 10.129 2.660 691 1HG1 ILE 87 2HG1 ILE 87 -0.543 11.444 2.308 692 2HG1 ILE 87 1HG1 ILE 87 0.468 12.112 3.589 693 1HG2 ILE 87 3HG2 ILE 87 3.026 12.482 1.492 694 2HG2 ILE 87 2HG2 ILE 87 2.850 12.297 3.237 695 3HG2 ILE 87 1HG2 ILE 87 3.688 11.061 2.299 696 1HD1 ILE 87 1HD1 ILE 87 1.422 13.348 1.284 697 2HD1 ILE 87 3HD1 ILE 87 -0.325 13.309 1.047 698 3HD1 ILE 87 2HD1 ILE 87 0.353 14.078 2.483 699 H LEU 88 H LEU 88 3.131 11.745 -0.935 700 HA LEU 88 HA LEU 88 4.974 9.407 -0.739 701 1HB LEU 88 2HB LEU 88 4.422 10.879 -3.327 702 2HB LEU 88 1HB LEU 88 5.325 9.379 -3.109 703 HG LEU 88 HG LEU 88 2.426 9.587 -2.303 704 1HD1 LEU 88 3HD1 LEU 88 3.541 8.801 -5.012 705 2HD1 LEU 88 2HD1 LEU 88 1.861 8.611 -4.510 706 3HD1 LEU 88 1HD1 LEU 88 2.555 10.223 -4.673 707 1HD2 LEU 88 3HD2 LEU 88 3.881 7.687 -1.520 708 2HD2 LEU 88 2HD2 LEU 88 2.512 7.170 -2.504 709 3HD2 LEU 88 1HD2 LEU 88 4.126 7.245 -3.209 710 H SER 89 HN SER 89 5.966 11.017 0.814 711 HA SER 89 HA SER 89 8.017 12.569 -0.609 712 1HB SER 89 2HB SER 89 5.858 14.017 -0.145 713 2HB SER 89 1HB SER 89 6.486 14.057 1.504 714 HG SER 89 HG SER 89 7.258 15.786 0.176 No H/Q in entry = 714 Start of MODEL 10 1 1H LYS 1 2H LYS 1 -8.348 4.821 7.854 2 2H LYS 1 1H LYS 1 -9.278 3.507 8.397 3 3H LYS 1 3H LYS 1 -8.819 4.726 9.484 4 HA LYS 1 HA LYS 1 -7.267 3.171 10.019 5 1HB LYS 1 2HB LYS 1 -7.699 2.318 7.178 6 2HB LYS 1 1HB LYS 1 -6.200 1.852 7.982 7 1HG LYS 1 2HG LYS 1 -8.978 1.341 9.086 8 2HG LYS 1 1HG LYS 1 -7.988 0.139 8.255 9 1HD LYS 1 2HD LYS 1 -6.174 0.764 10.023 10 2HD LYS 1 1HD LYS 1 -7.530 1.430 10.934 11 1HE LYS 1 2HE LYS 1 -8.456 -0.634 11.332 12 2HE LYS 1 1HE LYS 1 -7.890 -1.299 9.800 13 1HZ LYS 1 2HZ LYS 1 -5.572 -0.966 10.926 14 2HZ LYS 1 1HZ LYS 1 -6.481 -1.055 12.359 15 3HZ LYS 1 3HZ LYS 1 -6.506 -2.346 11.260 16 H LYS 2 H LYS 2 -4.835 3.076 9.620 17 HA LYS 2 HA LYS 2 -3.867 5.353 7.964 18 1HB LYS 2 2HB LYS 2 -3.993 6.403 10.085 19 2HB LYS 2 1HB LYS 2 -3.444 4.956 10.929 20 1HG LYS 2 2HG LYS 2 -1.262 5.472 10.612 21 2HG LYS 2 1HG LYS 2 -1.526 5.912 8.925 22 1HD LYS 2 2HD LYS 2 -2.573 8.067 9.761 23 2HD LYS 2 1HD LYS 2 -1.989 7.636 11.369 24 1HE LYS 2 2HE LYS 2 0.013 7.468 9.187 25 2HE LYS 2 1HE LYS 2 -0.531 9.093 9.605 26 1HZ LYS 2 3HZ LYS 2 -0.062 7.563 11.943 27 2HZ LYS 2 2HZ LYS 2 1.320 7.558 10.954 28 3HZ LYS 2 1HZ LYS 2 0.642 9.029 11.465 29 H ALA 3 H ALA 3 -2.693 4.112 6.532 30 HA ALA 3 HA ALA 3 -0.881 2.024 7.631 31 1HB ALA 3 2HB ALA 3 -2.492 1.753 5.557 32 2HB ALA 3 1HB ALA 3 -1.191 2.579 4.698 33 3HB ALA 3 3HB ALA 3 -0.877 1.048 5.515 34 H VAL 4 H VAL 4 1.358 2.233 7.460 35 HA VAL 4 HA VAL 4 2.368 4.696 6.110 36 HB VAL 4 HB VAL 4 3.250 3.654 8.821 37 1HG1 VAL 4 3HG1 VAL 4 4.576 5.265 6.870 38 2HG1 VAL 4 2HG1 VAL 4 4.133 6.307 8.221 39 3HG1 VAL 4 1HG1 VAL 4 5.115 4.870 8.503 40 1HG2 VAL 4 3HG2 VAL 4 1.203 5.561 7.961 41 2HG2 VAL 4 2HG2 VAL 4 1.479 4.860 9.555 42 3HG2 VAL 4 1HG2 VAL 4 2.382 6.289 9.053 43 H ILE 5 H ILE 5 3.773 4.074 4.567 44 HA ILE 5 HA ILE 5 5.040 1.434 4.661 45 HB ILE 5 HB ILE 5 4.970 3.690 2.653 46 1HG1 ILE 5 2HG1 ILE 5 4.185 1.283 1.543 47 2HG1 ILE 5 1HG1 ILE 5 3.558 1.216 3.187 48 1HG2 ILE 5 3HG2 ILE 5 6.765 1.310 2.809 49 2HG2 ILE 5 2HG2 ILE 5 6.102 1.753 1.233 50 3HG2 ILE 5 1HG2 ILE 5 7.080 2.911 2.137 51 1HD1 ILE 5 1HD1 ILE 5 3.158 3.765 1.732 52 2HD1 ILE 5 3HD1 ILE 5 2.221 2.378 1.170 53 3HD1 ILE 5 2HD1 ILE 5 2.083 2.919 2.843 54 H ASN 6 H ASN 6 6.862 1.222 5.845 55 HA ASN 6 HA ASN 6 8.631 3.591 6.070 56 1HB ASN 6 2HB ASN 6 9.129 1.093 7.638 57 2HB ASN 6 1HB ASN 6 9.378 2.774 8.108 58 1HD2 ASN 6 2HD2 ASN 6 6.427 2.610 9.993 59 2HD2 ASN 6 1HD2 ASN 6 8.079 2.997 9.926 60 H GLY 7 H GLY 7 9.718 3.426 4.081 61 1HA GLY 7 2HA GLY 7 10.753 0.945 3.074 62 2HA GLY 7 1HA GLY 7 11.226 2.556 2.515 63 H GLU 8 H GLU 8 11.678 2.836 5.693 64 HA GLU 8 HA GLU 8 14.546 2.426 5.466 65 1HB GLU 8 2HB GLU 8 13.868 4.338 6.733 66 2HB GLU 8 1HB GLU 8 12.763 3.375 7.714 67 1HG GLU 8 2HG GLU 8 14.532 2.313 8.873 68 2HG GLU 8 1HG GLU 8 15.726 2.807 7.672 69 H GLN 9 H GLN 9 11.906 0.522 6.374 70 HA GLN 9 HA GLN 9 13.725 -1.402 7.751 71 1HB GLN 9 2HB GLN 9 11.728 -0.224 9.051 72 2HB GLN 9 1HB GLN 9 10.780 -1.476 8.246 73 1HG GLN 9 2HG GLN 9 13.250 -2.539 9.380 74 2HG GLN 9 1HG GLN 9 12.227 -1.789 10.606 75 1HE2 GLN 9 2HE2 GLN 9 10.345 -4.765 10.720 76 2HE2 GLN 9 1HE2 GLN 9 11.246 -3.610 11.575 77 H ILE 10 H ILE 10 11.357 -0.873 5.298 78 HA ILE 10 HA ILE 10 10.566 -3.566 4.802 79 HB ILE 10 HB ILE 10 10.889 -1.241 2.882 80 1HG1 ILE 10 2HG1 ILE 10 9.215 -0.992 4.734 81 2HG1 ILE 10 1HG1 ILE 10 8.473 -1.018 3.136 82 1HG2 ILE 10 1HG2 ILE 10 9.802 -4.035 2.531 83 2HG2 ILE 10 3HG2 ILE 10 9.212 -2.700 1.539 84 3HG2 ILE 10 2HG2 ILE 10 10.918 -3.147 1.490 85 1HD1 ILE 10 2HD1 ILE 10 8.358 -3.628 3.616 86 2HD1 ILE 10 1HD1 ILE 10 8.415 -3.090 5.293 87 3HD1 ILE 10 3HD1 ILE 10 7.117 -2.539 4.234 88 H ARG 11 H ARG 11 12.160 -5.090 4.720 89 HA ARG 11 HA ARG 11 14.766 -4.646 3.539 90 1HB ARG 11 2HB ARG 11 13.763 -7.435 3.560 91 2HB ARG 11 1HB ARG 11 15.256 -6.772 4.232 92 1HG ARG 11 2HG ARG 11 13.793 -5.715 6.046 93 2HG ARG 11 1HG ARG 11 12.498 -6.759 5.452 94 1HD ARG 11 2HD ARG 11 14.075 -8.721 5.759 95 2HD ARG 11 1HD ARG 11 15.172 -7.618 6.589 96 HE ARG 11 HE ARG 11 12.651 -8.664 7.655 97 1HH1 ARG 11 1HH2 ARG 11 12.682 -5.623 7.880 98 2HH1 ARG 11 2HH2 ARG 11 13.389 -5.410 9.446 99 1HH2 ARG 11 2HH1 ARG 11 14.599 -8.655 9.632 100 2HH2 ARG 11 1HH1 ARG 11 14.475 -7.127 10.438 101 H SER 12 H SER 12 11.772 -6.171 2.447 102 HA SER 12 HA SER 12 12.621 -5.687 -0.355 103 1HB SER 12 2HB SER 12 12.194 -7.944 -1.060 104 2HB SER 12 1HB SER 12 13.281 -8.041 0.323 105 HG SER 12 HG SER 12 11.796 -9.209 1.221 106 H ILE 13 H ILE 13 10.769 -5.919 -1.864 107 HA ILE 13 HA ILE 13 8.507 -4.483 -1.219 108 HB ILE 13 HB ILE 13 9.129 -5.294 -3.492 109 1HG1 ILE 13 2HG1 ILE 13 6.744 -4.497 -2.728 110 2HG1 ILE 13 1HG1 ILE 13 6.943 -5.226 -4.317 111 1HG2 ILE 13 3HG2 ILE 13 8.059 -7.890 -2.380 112 2HG2 ILE 13 2HG2 ILE 13 8.254 -7.591 -4.108 113 3HG2 ILE 13 1HG2 ILE 13 9.663 -7.581 -3.046 114 1HD1 ILE 13 1HD1 ILE 13 6.352 -7.461 -3.169 115 2HD1 ILE 13 3HD1 ILE 13 5.801 -6.470 -1.821 116 3HD1 ILE 13 2HD1 ILE 13 5.050 -6.302 -3.403 117 H SER 14 H SER 14 9.095 -7.897 -0.543 118 HA SER 14 HA SER 14 6.513 -8.756 0.134 119 1HB SER 14 2HB SER 14 8.648 -10.131 0.150 120 2HB SER 14 1HB SER 14 8.991 -9.439 1.732 121 HG SER 14 HG SER 14 7.813 -11.500 1.687 122 H ASP 15 H ASP 15 8.887 -7.245 2.369 123 HA ASP 15 HA ASP 15 7.139 -7.126 4.594 124 1HB ASP 15 2HB ASP 15 9.733 -6.027 3.822 125 2HB ASP 15 1HB ASP 15 8.827 -4.949 4.874 126 H LEU 16 H LEU 16 7.305 -5.205 1.748 127 HA LEU 16 HA LEU 16 6.008 -2.829 2.732 128 1HB LEU 16 2HB LEU 16 7.224 -2.933 0.567 129 2HB LEU 16 1HB LEU 16 6.008 -4.040 -0.054 130 HG LEU 16 HG LEU 16 4.708 -2.316 -0.679 131 1HD1 LEU 16 1HD1 LEU 16 4.977 -1.387 2.187 132 2HD1 LEU 16 3HD1 LEU 16 4.083 -0.458 0.978 133 3HD1 LEU 16 2HD1 LEU 16 3.568 -2.091 1.393 134 1HD2 LEU 16 3HD2 LEU 16 7.266 -1.106 0.010 135 2HD2 LEU 16 2HD2 LEU 16 6.239 -0.839 -1.399 136 3HD2 LEU 16 1HD2 LEU 16 5.934 0.047 0.095 137 H HIS 17 H HIS 17 4.725 -5.452 0.705 138 HA HIS 17 HA HIS 17 1.995 -4.746 1.112 139 1HB HIS 17 2HB HIS 17 3.244 -7.389 0.329 140 2HB HIS 17 1HB HIS 17 1.521 -7.011 0.195 141 HD1 HIS 17 HD1 HIS 17 0.955 -6.319 -2.137 142 HD2 HIS 17 HD2 HIS 17 4.763 -5.020 -1.059 143 HE1 HIS 17 HE1 HIS 17 1.877 -5.044 -4.125 144 H GLN 18 H GLN 18 4.243 -6.290 3.144 145 HA GLN 18 HA GLN 18 2.241 -7.706 4.754 146 1HB GLN 18 2HB GLN 18 5.184 -7.104 5.147 147 2HB GLN 18 1HB GLN 18 4.212 -7.913 6.377 148 1HG GLN 18 2HG GLN 18 3.579 -9.627 4.642 149 2HG GLN 18 1HG GLN 18 4.746 -8.875 3.554 150 1HE2 GLN 18 2HE2 GLN 18 6.857 -11.401 5.032 151 2HE2 GLN 18 1HE2 GLN 18 5.789 -11.140 3.738 152 H THR 19 H THR 19 3.916 -4.697 4.646 153 HA THR 19 HA THR 19 3.079 -3.714 7.237 154 HB THR 19 HB THR 19 4.375 -2.549 4.800 155 HG1 THR 19 HG1 THR 19 5.775 -1.826 6.586 156 1HG2 THR 19 1HG2 THR 19 2.648 -1.064 6.659 157 2HG2 THR 19 3HG2 THR 19 4.277 -0.403 6.519 158 3HG2 THR 19 2HG2 THR 19 3.274 -0.589 5.079 159 H LEU 20 H LEU 20 1.822 -3.661 3.996 160 HA LEU 20 HA LEU 20 -0.363 -1.814 4.625 161 1HB LEU 20 2HB LEU 20 -0.579 -3.706 2.318 162 2HB LEU 20 1HB LEU 20 -1.009 -1.995 2.408 163 HG LEU 20 HG LEU 20 1.783 -3.115 2.332 164 1HD1 LEU 20 2HD1 LEU 20 -0.008 -2.693 0.249 165 2HD1 LEU 20 1HD1 LEU 20 1.030 -1.266 0.236 166 3HD1 LEU 20 3HD1 LEU 20 1.740 -2.874 0.103 167 1HD2 LEU 20 3HD2 LEU 20 0.705 -0.303 2.534 168 2HD2 LEU 20 2HD2 LEU 20 1.804 -1.113 3.651 169 3HD2 LEU 20 1HD2 LEU 20 2.362 -0.654 2.042 170 H LYS 21 H LYS 21 0.191 -5.260 4.435 171 HA LYS 21 HA LYS 21 -2.554 -6.067 4.868 172 1HB LYS 21 2HB LYS 21 -1.069 -7.711 3.968 173 2HB LYS 21 1HB LYS 21 0.117 -7.444 5.251 174 1HG LYS 21 2HG LYS 21 -1.077 -8.677 6.791 175 2HG LYS 21 1HG LYS 21 -2.633 -8.249 6.078 176 1HD LYS 21 2HD LYS 21 -2.469 -9.886 4.413 177 2HD LYS 21 1HD LYS 21 -0.713 -9.988 4.550 178 1HE LYS 21 2HE LYS 21 -2.421 -10.739 6.904 179 2HE LYS 21 1HE LYS 21 -2.208 -11.889 5.584 180 1HZ LYS 21 3HZ LYS 21 0.124 -10.539 6.776 181 2HZ LYS 21 2HZ LYS 21 -0.548 -11.906 7.528 182 3HZ LYS 21 1HZ LYS 21 0.055 -12.015 5.943 183 H LYS 22 H LYS 22 0.081 -5.024 6.896 184 HA LYS 22 HA LYS 22 -1.106 -5.965 9.389 185 1HB LYS 22 2HB LYS 22 1.236 -5.736 9.495 186 2HB LYS 22 1HB LYS 22 1.215 -4.184 8.658 187 1HG LYS 22 2HG LYS 22 0.079 -3.169 10.628 188 2HG LYS 22 1HG LYS 22 0.206 -4.715 11.469 189 1HD LYS 22 2HD LYS 22 2.709 -3.605 10.292 190 2HD LYS 22 1HD LYS 22 2.070 -2.798 11.725 191 1HE LYS 22 2HE LYS 22 2.074 -5.746 11.877 192 2HE LYS 22 1HE LYS 22 3.676 -5.013 11.802 193 1HZ LYS 22 3HZ LYS 22 1.876 -3.640 13.568 194 2HZ LYS 22 2HZ LYS 22 2.159 -5.251 14.032 195 3HZ LYS 22 1HZ LYS 22 3.461 -4.177 13.841 196 H GLU 23 H GLU 23 -0.805 -2.790 7.759 197 HA GLU 23 HA GLU 23 -2.407 -1.452 9.785 198 1HB GLU 23 2HB GLU 23 -1.768 -0.494 6.988 199 2HB GLU 23 1HB GLU 23 -2.239 0.498 8.369 200 1HG GLU 23 2HG GLU 23 0.194 -1.259 8.555 201 2HG GLU 23 1HG GLU 23 0.300 0.304 7.744 202 H LEU 24 H LEU 24 -2.979 -2.018 6.360 203 HA LEU 24 HA LEU 24 -5.729 -1.421 6.312 204 1HB LEU 24 2HB LEU 24 -4.428 -3.604 4.659 205 2HB LEU 24 1HB LEU 24 -5.825 -2.622 4.229 206 HG LEU 24 HG LEU 24 -3.173 -1.312 4.795 207 1HD1 LEU 24 3HD1 LEU 24 -4.085 -2.588 2.209 208 2HD1 LEU 24 2HD1 LEU 24 -2.774 -1.412 2.314 209 3HD1 LEU 24 1HD1 LEU 24 -2.630 -2.967 3.131 210 1HD2 LEU 24 3HD2 LEU 24 -5.630 -0.282 4.373 211 2HD2 LEU 24 2HD2 LEU 24 -4.152 0.536 3.873 212 3HD2 LEU 24 1HD2 LEU 24 -5.076 -0.407 2.703 213 H ALA 25 H ALA 25 -4.004 -4.220 7.470 214 HA ALA 25 HA ALA 25 -4.782 -6.037 8.742 215 1HB ALA 25 3HB ALA 25 -6.624 -3.975 9.195 216 2HB ALA 25 2HB ALA 25 -7.612 -5.373 8.765 217 3HB ALA 25 1HB ALA 25 -6.482 -5.473 10.116 218 H LEU 26 H LEU 26 -4.447 -6.520 6.123 219 HA LEU 26 HA LEU 26 -6.901 -7.516 4.877 220 1HB LEU 26 2HB LEU 26 -4.066 -8.096 3.983 221 2HB LEU 26 1HB LEU 26 -5.530 -8.023 2.999 222 HG LEU 26 HG LEU 26 -4.426 -5.639 4.504 223 1HD1 LEU 26 2HD1 LEU 26 -3.729 -6.793 1.882 224 2HD1 LEU 26 1HD1 LEU 26 -4.112 -5.075 1.850 225 3HD1 LEU 26 3HD1 LEU 26 -2.820 -5.672 2.892 226 1HD2 LEU 26 1HD2 LEU 26 -6.944 -6.114 3.481 227 2HD2 LEU 26 3HD2 LEU 26 -6.239 -4.515 3.730 228 3HD2 LEU 26 2HD2 LEU 26 -6.145 -5.285 2.145 229 HA PRO 27 HA PRO 27 -6.753 -11.635 6.344 230 1HB PRO 27 2HB PRO 27 -7.586 -13.028 4.131 231 2HB PRO 27 1HB PRO 27 -8.663 -12.021 5.119 232 1HG PRO 27 2HG PRO 27 -7.508 -11.458 2.428 233 2HG PRO 27 1HG PRO 27 -9.015 -10.866 3.145 234 1HD PRO 27 2HD PRO 27 -6.600 -9.427 2.918 235 2HD PRO 27 1HD PRO 27 -7.988 -8.972 3.929 236 H GLU 28 H GLU 28 -6.200 -14.016 5.103 237 HA GLU 28 HA GLU 28 -3.287 -13.932 4.898 238 1HB GLU 28 2HB GLU 28 -4.276 -15.797 6.070 239 2HB GLU 28 1HB GLU 28 -5.298 -16.188 4.684 240 1HG GLU 28 2HG GLU 28 -3.638 -17.320 3.645 241 2HG GLU 28 1HG GLU 28 -2.453 -16.061 3.997 242 H TYR 29 H TYR 29 -5.906 -15.050 2.700 243 HA TYR 29 HA TYR 29 -4.206 -15.542 0.485 244 1HB TYR 29 2HB TYR 29 -6.139 -15.742 -0.815 245 2HB TYR 29 1HB TYR 29 -6.747 -16.077 0.807 246 HD1 TYR 29 HD1 TYR 29 -7.811 -14.186 2.124 247 HD2 TYR 29 HD2 TYR 29 -6.939 -13.872 -2.070 248 HE1 TYR 29 HE1 TYR 29 -9.429 -12.313 1.925 249 HE2 TYR 29 HE2 TYR 29 -8.548 -11.999 -2.266 250 HH TYR 29 HH TYR 29 -9.493 -10.190 -0.460 251 H TYR 30 H TYR 30 -5.138 -12.616 1.933 252 HA TYR 30 HA TYR 30 -5.382 -10.613 0.169 253 1HB TYR 30 2HB TYR 30 -4.879 -9.931 2.374 254 2HB TYR 30 1HB TYR 30 -3.358 -10.824 2.397 255 HD1 TYR 30 HD1 TYR 30 -4.605 -8.711 -0.387 256 HD2 TYR 30 HD2 TYR 30 -1.826 -9.040 2.873 257 HE1 TYR 30 HE1 TYR 30 -3.407 -6.699 -1.202 258 HE2 TYR 30 HE2 TYR 30 -0.626 -7.031 2.052 259 HH TYR 30 HH TYR 30 -1.098 -5.736 -1.020 260 H GLY 31 H GLY 31 -4.675 -10.621 -1.915 261 1HA GLY 31 2HA GLY 31 -2.082 -11.682 -2.684 262 2HA GLY 31 1HA GLY 31 -3.186 -10.788 -3.740 263 H GLU 32 H GLU 32 -0.182 -10.605 -2.776 264 HA GLU 32 HA GLU 32 -0.126 -7.841 -1.789 265 1HB GLU 32 2HB GLU 32 2.209 -8.169 -1.521 266 2HB GLU 32 1HB GLU 32 1.481 -9.728 -1.128 267 1HG GLU 32 2HG GLU 32 2.791 -10.667 -2.697 268 2HG GLU 32 1HG GLU 32 1.886 -9.769 -3.915 269 H ASN 33 H ASN 33 -1.433 -7.750 -4.143 270 HA ASN 33 HA ASN 33 0.548 -6.432 -5.914 271 1HB ASN 33 2HB ASN 33 -0.997 -7.442 -7.828 272 2HB ASN 33 1HB ASN 33 0.342 -8.378 -7.165 273 1HD2 ASN 33 2HD2 ASN 33 -2.104 -10.911 -6.663 274 2HD2 ASN 33 1HD2 ASN 33 -0.772 -10.424 -7.596 275 H LEU 34 H LEU 34 -1.201 -5.636 -7.905 276 HA LEU 34 HA LEU 34 -2.671 -3.525 -6.511 277 1HB LEU 34 2HB LEU 34 -3.195 -3.820 -9.388 278 2HB LEU 34 1HB LEU 34 -2.610 -2.421 -8.492 279 HG LEU 34 HG LEU 34 -0.422 -3.993 -8.330 280 1HD1 LEU 34 1HD1 LEU 34 -2.062 -5.375 -10.142 281 2HD1 LEU 34 3HD1 LEU 34 -0.877 -4.540 -11.146 282 3HD1 LEU 34 2HD1 LEU 34 -0.339 -5.636 -9.873 283 1HD2 LEU 34 1HD2 LEU 34 -1.327 -2.098 -10.490 284 2HD2 LEU 34 3HD2 LEU 34 -0.281 -1.762 -9.111 285 3HD2 LEU 34 2HD2 LEU 34 0.313 -2.747 -10.449 286 H ASP 35 H ASP 35 -3.405 -6.552 -8.065 287 HA ASP 35 HA ASP 35 -6.223 -6.070 -8.401 288 1HB ASP 35 2HB ASP 35 -6.218 -8.670 -8.363 289 2HB ASP 35 1HB ASP 35 -5.464 -7.834 -9.714 290 H ALA 36 H ALA 36 -4.404 -7.933 -5.920 291 HA ALA 36 HA ALA 36 -6.802 -8.399 -4.365 292 1HB ALA 36 3HB ALA 36 -4.042 -9.213 -4.257 293 2HB ALA 36 2HB ALA 36 -4.563 -8.663 -2.665 294 3HB ALA 36 1HB ALA 36 -5.443 -9.960 -3.480 295 H LEU 37 H LEU 37 -4.135 -6.124 -4.138 296 HA LEU 37 HA LEU 37 -4.957 -4.867 -1.692 297 1HB LEU 37 2HB LEU 37 -2.726 -4.521 -2.730 298 2HB LEU 37 1HB LEU 37 -3.504 -3.636 -4.043 299 HG LEU 37 HG LEU 37 -4.525 -2.485 -1.700 300 1HD1 LEU 37 1HD1 LEU 37 -1.562 -3.070 -1.504 301 2HD1 LEU 37 3HD1 LEU 37 -2.342 -1.771 -0.604 302 3HD1 LEU 37 2HD1 LEU 37 -2.814 -3.447 -0.321 303 1HD2 LEU 37 1HD2 LEU 37 -2.595 -1.731 -3.858 304 2HD2 LEU 37 3HD2 LEU 37 -4.164 -1.035 -3.460 305 3HD2 LEU 37 2HD2 LEU 37 -2.755 -0.649 -2.471 306 H TRP 38 H TRP 38 -5.447 -3.906 -5.078 307 HA TRP 38 HA TRP 38 -7.213 -1.735 -4.620 308 1HB TRP 38 2HB TRP 38 -6.217 -2.241 -6.820 309 2HB TRP 38 1HB TRP 38 -7.098 -3.756 -6.869 310 HD1 TRP 38 HD1 TRP 38 -9.016 -3.693 -8.367 311 HE1 TRP 38 HE1 TRP 38 -10.767 -1.975 -9.152 312 HE3 TRP 38 HE3 TRP 38 -7.498 0.416 -5.719 313 HZ2 TRP 38 HZ2 TRP 38 -11.420 0.768 -8.736 314 HZ3 TRP 38 HZ3 TRP 38 -8.682 2.563 -5.963 315 HH2 TRP 38 HH2 TRP 38 -10.649 2.747 -7.457 316 H ASP 39 H ASP 39 -7.740 -5.180 -4.924 317 HA ASP 39 HA ASP 39 -10.594 -5.132 -4.776 318 1HB ASP 39 2HB ASP 39 -8.474 -7.140 -4.565 319 2HB ASP 39 1HB ASP 39 -9.854 -7.487 -3.518 320 H ALA 40 H ALA 40 -8.086 -4.903 -2.377 321 HA ALA 40 HA ALA 40 -9.943 -5.249 -0.123 322 1HB ALA 40 1HB ALA 40 -7.393 -5.777 -0.135 323 2HB ALA 40 3HB ALA 40 -7.191 -4.042 0.114 324 3HB ALA 40 2HB ALA 40 -8.084 -5.003 1.294 325 H LEU 41 H LEU 41 -7.744 -2.546 -0.875 326 HA LEU 41 HA LEU 41 -8.870 -0.518 0.555 327 1HB LEU 41 2HB LEU 41 -7.748 -0.496 -2.234 328 2HB LEU 41 1HB LEU 41 -8.320 0.992 -1.481 329 HG LEU 41 HG LEU 41 -6.452 -0.781 0.048 330 1HD1 LEU 41 3HD1 LEU 41 -5.606 1.219 -2.080 331 2HD1 LEU 41 2HD1 LEU 41 -4.519 0.416 -0.940 332 3HD1 LEU 41 1HD1 LEU 41 -5.377 -0.529 -2.160 333 1HD2 LEU 41 3HD2 LEU 41 -7.708 1.523 0.679 334 2HD2 LEU 41 2HD2 LEU 41 -6.140 1.068 1.343 335 3HD2 LEU 41 1HD2 LEU 41 -6.229 2.176 -0.027 336 H THR 42 H THR 42 -9.926 -1.418 -2.679 337 HA THR 42 HA THR 42 -12.357 0.209 -2.414 338 HB THR 42 HB THR 42 -12.693 -0.184 -4.687 339 HG1 THR 42 HG1 THR 42 -11.579 -2.100 -5.637 340 1HG2 THR 42 2HG2 THR 42 -10.447 0.855 -4.215 341 2HG2 THR 42 1HG2 THR 42 -9.731 -0.745 -4.408 342 3HG2 THR 42 3HG2 THR 42 -10.548 0.026 -5.768 343 H GLY 43 H GLY 43 -12.378 -1.689 -0.386 344 1HA GLY 43 2HA GLY 43 -14.797 -2.794 -0.226 345 2HA GLY 43 1HA GLY 43 -14.064 -3.923 -1.368 346 H TRP 44 H TRP 44 -12.382 -2.396 1.392 347 HA TRP 44 HA TRP 44 -12.678 -4.719 3.102 348 1HB TRP 44 2HB TRP 44 -11.138 -5.762 1.530 349 2HB TRP 44 1HB TRP 44 -10.050 -4.375 1.630 350 HD1 TRP 44 HD1 TRP 44 -9.071 -3.854 4.184 351 HE1 TRP 44 HE1 TRP 44 -8.330 -5.535 5.991 352 HE3 TRP 44 HE3 TRP 44 -11.404 -8.061 2.483 353 HZ2 TRP 44 HZ2 TRP 44 -8.686 -8.306 6.633 354 HZ3 TRP 44 HZ3 TRP 44 -11.190 -10.206 3.707 355 HH2 TRP 44 HH2 TRP 44 -9.832 -10.332 5.778 356 H VAL 45 H VAL 45 -10.431 -2.127 2.232 357 HA VAL 45 HA VAL 45 -9.608 -1.589 4.937 358 HB VAL 45 HB VAL 45 -9.331 -0.324 2.258 359 1HG1 VAL 45 3HG1 VAL 45 -8.823 1.143 4.846 360 2HG1 VAL 45 2HG1 VAL 45 -8.174 1.634 3.282 361 3HG1 VAL 45 1HG1 VAL 45 -9.918 1.615 3.547 362 1HG2 VAL 45 1HG2 VAL 45 -7.407 -1.018 4.490 363 2HG2 VAL 45 3HG2 VAL 45 -7.709 -1.979 3.040 364 3HG2 VAL 45 2HG2 VAL 45 -6.940 -0.396 2.907 365 H GLU 46 H GLU 46 -10.100 0.526 6.047 366 HA GLU 46 HA GLU 46 -12.936 1.333 5.545 367 1HB GLU 46 2HB GLU 46 -11.443 1.385 8.186 368 2HB GLU 46 1HB GLU 46 -13.150 1.749 7.936 369 1HG GLU 46 2HG GLU 46 -13.728 -0.447 7.824 370 2HG GLU 46 1HG GLU 46 -12.300 -0.870 6.878 371 H TYR 47 H TYR 47 -12.904 3.275 4.574 372 HA TYR 47 HA TYR 47 -10.723 5.182 5.080 373 1HB TYR 47 2HB TYR 47 -13.189 5.448 3.332 374 2HB TYR 47 1HB TYR 47 -11.740 6.456 3.261 375 HD1 TYR 47 HD2 TYR 47 -9.544 4.549 3.523 376 HD2 TYR 47 HD1 TYR 47 -13.239 4.178 1.358 377 HE1 TYR 47 HE2 TYR 47 -8.476 2.921 1.980 378 HE2 TYR 47 HE1 TYR 47 -12.168 2.553 -0.182 379 HH TYR 47 HH TYR 47 -9.945 1.948 -0.946 380 HA PRO 48 HA PRO 48 -10.975 7.606 4.390 381 1HB PRO 48 2HB PRO 48 -9.880 9.529 6.024 382 2HB PRO 48 1HB PRO 48 -11.341 9.769 5.045 383 1HG PRO 48 2HG PRO 48 -11.104 9.293 7.989 384 2HG PRO 48 1HG PRO 48 -12.333 10.203 7.093 385 1HD PRO 48 2HD PRO 48 -12.685 7.617 8.108 386 2HD PRO 48 1HD PRO 48 -13.669 8.350 6.820 387 H LEU 49 H LEU 49 -8.923 6.902 4.073 388 HA LEU 49 HA LEU 49 -7.507 5.676 6.400 389 1HB LEU 49 2HB LEU 49 -7.876 3.946 4.881 390 2HB LEU 49 1HB LEU 49 -7.746 5.012 3.483 391 HG LEU 49 HG LEU 49 -5.259 5.232 4.057 392 1HD1 LEU 49 3HD1 LEU 49 -6.092 3.803 6.336 393 2HD1 LEU 49 2HD1 LEU 49 -5.194 2.638 5.363 394 3HD1 LEU 49 1HD1 LEU 49 -4.430 4.147 5.860 395 1HD2 LEU 49 1HD2 LEU 49 -6.751 3.132 2.768 396 2HD2 LEU 49 3HD2 LEU 49 -5.195 3.831 2.311 397 3HD2 LEU 49 2HD2 LEU 49 -5.260 2.485 3.451 398 H VAL 50 H VAL 50 -5.102 5.841 6.306 399 HA VAL 50 HA VAL 50 -4.194 8.317 4.907 400 HB VAL 50 HB VAL 50 -4.087 7.565 7.766 401 1HG1 VAL 50 3HG1 VAL 50 -1.608 8.313 6.263 402 2HG1 VAL 50 2HG1 VAL 50 -1.870 9.039 7.848 403 3HG1 VAL 50 1HG1 VAL 50 -1.790 7.286 7.686 404 1HG2 VAL 50 1HG2 VAL 50 -5.140 9.610 6.543 405 2HG2 VAL 50 3HG2 VAL 50 -4.295 9.882 8.067 406 3HG2 VAL 50 2HG2 VAL 50 -3.495 10.245 6.537 407 H LEU 51 H LEU 51 -3.055 7.348 3.226 408 HA LEU 51 HA LEU 51 -1.321 5.026 3.776 409 1HB LEU 51 2HB LEU 51 -2.621 5.266 1.625 410 2HB LEU 51 1HB LEU 51 -1.579 6.637 1.227 411 HG LEU 51 HG LEU 51 0.390 4.994 1.624 412 1HD1 LEU 51 3HD1 LEU 51 -1.986 3.182 1.541 413 2HD1 LEU 51 2HD1 LEU 51 -0.441 2.636 0.872 414 3HD1 LEU 51 1HD1 LEU 51 -0.559 3.092 2.579 415 1HD2 LEU 51 2HD2 LEU 51 -1.510 4.657 -0.694 416 2HD2 LEU 51 1HD2 LEU 51 -0.196 5.833 -0.581 417 3HD2 LEU 51 3HD2 LEU 51 0.163 4.109 -0.682 418 H GLU 52 H GLU 52 -0.152 6.599 5.381 419 HA GLU 52 HA GLU 52 1.546 8.650 4.298 420 1HB GLU 52 2HB GLU 52 1.149 8.644 6.672 421 2HB GLU 52 1HB GLU 52 1.725 6.984 6.823 422 1HG GLU 52 2HG GLU 52 3.484 8.492 7.567 423 2HG GLU 52 1HG GLU 52 3.979 7.750 6.044 424 H TRP 53 H TRP 53 2.494 7.652 2.391 425 HA TRP 53 HA TRP 53 4.077 5.236 2.740 426 1HB TRP 53 2HB TRP 53 2.874 6.062 0.574 427 2HB TRP 53 1HB TRP 53 4.340 7.023 0.345 428 HD1 TRP 53 HD1 TRP 53 6.677 5.345 0.937 429 HE1 TRP 53 HE1 TRP 53 7.166 3.064 -0.153 430 HE3 TRP 53 HE3 TRP 53 1.999 4.119 -0.596 431 HZ2 TRP 53 HZ2 TRP 53 5.727 0.987 -1.505 432 HZ3 TRP 53 HZ3 TRP 53 1.556 1.991 -1.765 433 HH2 TRP 53 HH2 TRP 53 3.424 0.407 -2.218 434 H ARG 54 H ARG 54 5.821 5.592 4.091 435 HA ARG 54 HA ARG 54 7.343 8.037 4.128 436 1HB ARG 54 2HB ARG 54 8.501 5.380 4.955 437 2HB ARG 54 1HB ARG 54 8.774 6.971 5.660 438 1HG ARG 54 2HG ARG 54 5.968 6.387 5.787 439 2HG ARG 54 1HG ARG 54 6.862 5.026 6.464 440 1HD ARG 54 2HD ARG 54 6.447 6.623 8.243 441 2HD ARG 54 1HD ARG 54 8.167 6.655 7.858 442 HE ARG 54 HE ARG 54 6.398 8.664 6.564 443 1HH1 ARG 54 1HH2 ARG 54 9.467 8.637 6.609 444 2HH1 ARG 54 2HH2 ARG 54 9.784 9.880 7.772 445 1HH2 ARG 54 2HH1 ARG 54 6.546 9.918 9.009 446 2HH2 ARG 54 1HH1 ARG 54 8.131 10.605 9.130 447 H GLN 55 H GLN 55 9.984 6.421 3.991 448 HA GLN 55 HA GLN 55 10.972 7.260 1.560 449 1HB GLN 55 2HB GLN 55 11.633 4.996 3.370 450 2HB GLN 55 1HB GLN 55 12.308 4.919 1.742 451 1HG GLN 55 2HG GLN 55 13.787 6.569 2.178 452 2HG GLN 55 1HG GLN 55 12.538 7.591 2.891 453 1HE2 GLN 55 1HE2 GLN 55 11.744 6.512 5.171 454 2HE2 GLN 55 2HE2 GLN 55 13.024 6.097 6.205 455 H PHE 56 H PHE 56 9.523 7.082 -0.179 456 HA PHE 56 HA PHE 56 8.419 4.445 -0.894 457 1HB PHE 56 2HB PHE 56 6.999 6.393 -1.234 458 2HB PHE 56 1HB PHE 56 8.234 7.160 -2.234 459 HD1 PHE 56 HD1 PHE 56 8.793 6.242 -4.474 460 HD2 PHE 56 HD2 PHE 56 5.614 4.616 -2.093 461 HE1 PHE 56 HE1 PHE 56 7.905 5.067 -6.462 462 HE2 PHE 56 HE2 PHE 56 4.724 3.440 -4.079 463 HZ PHE 56 HZ PHE 56 5.868 3.663 -6.269 464 H GLU 57 H GLU 57 10.595 6.850 -2.370 465 HA GLU 57 HA GLU 57 11.325 5.744 -4.733 466 1HB GLU 57 2HB GLU 57 13.849 6.237 -3.614 467 2HB GLU 57 1HB GLU 57 12.870 7.357 -4.556 468 1HG GLU 57 2HG GLU 57 11.972 8.375 -2.654 469 2HG GLU 57 1HG GLU 57 12.372 7.009 -1.617 470 H GLN 58 H GLN 58 12.557 4.555 -1.597 471 HA GLN 58 HA GLN 58 14.003 2.376 -2.906 472 1HB GLN 58 2HB GLN 58 14.726 1.749 -0.740 473 2HB GLN 58 1HB GLN 58 14.638 3.510 -0.689 474 1HG GLN 58 2HG GLN 58 13.251 3.331 1.076 475 2HG GLN 58 1HG GLN 58 12.061 2.591 0.005 476 1HE2 GLN 58 2HE2 GLN 58 12.286 -0.370 1.898 477 2HE2 GLN 58 1HE2 GLN 58 11.291 0.821 1.210 478 H SER 59 H SER 59 13.528 0.104 -2.492 479 HA SER 59 HA SER 59 12.099 -1.751 -2.129 480 1HB SER 59 2HB SER 59 11.034 -0.212 -0.329 481 2HB SER 59 1HB SER 59 9.817 0.137 -1.560 482 HG SER 59 HG SER 59 9.143 -1.906 -1.488 483 H LYS 60 H LYS 60 11.369 0.981 -4.119 484 HA LYS 60 HA LYS 60 9.317 -0.383 -5.696 485 1HB LYS 60 2HB LYS 60 9.267 2.045 -5.506 486 2HB LYS 60 1HB LYS 60 10.903 2.154 -6.172 487 1HG LYS 60 2HG LYS 60 9.318 0.592 -7.968 488 2HG LYS 60 1HG LYS 60 8.423 2.065 -7.594 489 1HD LYS 60 2HD LYS 60 9.881 3.370 -8.735 490 2HD LYS 60 1HD LYS 60 11.282 2.543 -8.050 491 1HE LYS 60 2HE LYS 60 11.036 2.273 -10.550 492 2HE LYS 60 1HE LYS 60 11.102 0.753 -9.658 493 1HZ LYS 60 3HZ LYS 60 8.487 1.983 -10.141 494 2HZ LYS 60 2HZ LYS 60 9.254 1.189 -11.432 495 3HZ LYS 60 1HZ LYS 60 8.900 0.345 -10.001 496 H GLN 61 H GLN 61 12.733 0.536 -6.152 497 HA GLN 61 HA GLN 61 12.899 -0.873 -8.717 498 1HB GLN 61 2HB GLN 61 14.267 1.178 -8.062 499 2HB GLN 61 1HB GLN 61 15.175 0.110 -6.989 500 1HG GLN 61 2HG GLN 61 15.044 -1.222 -9.477 501 2HG GLN 61 1HG GLN 61 15.444 0.457 -9.846 502 1HE2 GLN 61 2HE2 GLN 61 18.632 0.328 -8.235 503 2HE2 GLN 61 1HE2 GLN 61 17.407 1.369 -8.780 504 H LEU 62 H LEU 62 13.111 -1.652 -5.447 505 HA LEU 62 HA LEU 62 14.988 -3.842 -5.602 506 1HB LEU 62 2HB LEU 62 12.863 -3.071 -3.581 507 2HB LEU 62 1HB LEU 62 13.951 -4.445 -3.363 508 HG LEU 62 HG LEU 62 15.895 -2.988 -3.403 509 1HD1 LEU 62 2HD1 LEU 62 13.886 -0.806 -4.055 510 2HD1 LEU 62 1HD1 LEU 62 15.532 -0.479 -3.515 511 3HD1 LEU 62 3HD1 LEU 62 15.259 -1.327 -5.035 512 1HD2 LEU 62 1HD2 LEU 62 14.349 -3.182 -1.322 513 2HD2 LEU 62 3HD2 LEU 62 15.575 -1.914 -1.332 514 3HD2 LEU 62 2HD2 LEU 62 13.896 -1.520 -1.698 515 H THR 63 H THR 63 11.934 -3.437 -6.857 516 HA THR 63 HA THR 63 11.525 -6.392 -6.983 517 HB THR 63 HB THR 63 9.742 -5.922 -5.586 518 HG1 THR 63 HG1 THR 63 8.460 -6.553 -7.124 519 1HG2 THR 63 1HG2 THR 63 10.073 -3.164 -6.655 520 2HG2 THR 63 3HG2 THR 63 8.488 -3.604 -6.017 521 3HG2 THR 63 2HG2 THR 63 9.915 -3.713 -4.986 522 H GLU 64 H GLU 64 9.424 -3.933 -8.313 523 HA GLU 64 HA GLU 64 10.565 -3.579 -10.872 524 1HB GLU 64 2HB GLU 64 9.061 -5.147 -12.177 525 2HB GLU 64 1HB GLU 64 10.323 -5.961 -11.249 526 1HG GLU 64 2HG GLU 64 8.322 -5.843 -9.398 527 2HG GLU 64 1HG GLU 64 7.390 -6.011 -10.886 528 H ASN 65 H ASN 65 7.693 -4.004 -8.909 529 HA ASN 65 HA ASN 65 6.652 -1.425 -9.466 530 1HB ASN 65 2HB ASN 65 4.923 -1.819 -11.040 531 2HB ASN 65 1HB ASN 65 6.330 -2.637 -11.716 532 1HD2 ASN 65 2HD2 ASN 65 4.900 -5.860 -11.485 533 2HD2 ASN 65 1HD2 ASN 65 6.258 -4.936 -11.912 534 H GLY 66 H GLY 66 7.038 -3.382 -7.305 535 1HA GLY 66 2HA GLY 66 4.360 -4.245 -6.491 536 2HA GLY 66 1HA GLY 66 5.836 -4.387 -5.529 537 H ALA 67 H ALA 67 6.750 -1.868 -5.255 538 HA ALA 67 HA ALA 67 4.875 -0.688 -3.397 539 1HB ALA 67 1HB ALA 67 7.486 0.278 -4.582 540 2HB ALA 67 3HB ALA 67 6.556 1.237 -3.430 541 3HB ALA 67 2HB ALA 67 7.198 -0.334 -2.954 542 H GLU 68 H GLU 68 6.012 0.280 -6.648 543 HA GLU 68 HA GLU 68 4.403 2.618 -6.812 544 1HB GLU 68 2HB GLU 68 6.291 2.148 -8.348 545 2HB GLU 68 1HB GLU 68 5.364 0.825 -9.058 546 1HG GLU 68 2HG GLU 68 3.537 2.562 -9.529 547 2HG GLU 68 1HG GLU 68 4.752 3.783 -9.151 548 H SER 69 H SER 69 3.616 -0.726 -6.995 549 HA SER 69 HA SER 69 1.150 -0.290 -8.531 550 1HB SER 69 2HB SER 69 2.522 -2.657 -7.308 551 2HB SER 69 1HB SER 69 0.804 -2.771 -7.673 552 HG SER 69 HG SER 69 2.507 -1.692 -9.608 553 H VAL 70 H VAL 70 1.836 -1.418 -5.174 554 HA VAL 70 HA VAL 70 -0.809 -1.353 -4.265 555 HB VAL 70 HB VAL 70 1.685 -0.482 -2.755 556 1HG1 VAL 70 3HG1 VAL 70 -1.024 -0.172 -2.068 557 2HG1 VAL 70 2HG1 VAL 70 -0.473 -1.575 -1.157 558 3HG1 VAL 70 1HG1 VAL 70 0.364 -0.032 -0.990 559 1HG2 VAL 70 1HG2 VAL 70 0.424 -3.115 -3.381 560 2HG2 VAL 70 3HG2 VAL 70 2.120 -2.723 -3.094 561 3HG2 VAL 70 2HG2 VAL 70 1.014 -2.899 -1.732 562 H LEU 71 H LEU 71 1.455 1.129 -5.052 563 HA LEU 71 HA LEU 71 -0.098 3.196 -3.776 564 1HB LEU 71 2HB LEU 71 2.424 3.251 -4.153 565 2HB LEU 71 1HB LEU 71 2.057 3.617 -5.839 566 HG LEU 71 HG LEU 71 0.970 5.644 -5.273 567 1HD1 LEU 71 3HD1 LEU 71 0.806 4.398 -2.566 568 2HD1 LEU 71 2HD1 LEU 71 0.864 6.162 -2.665 569 3HD1 LEU 71 1HD1 LEU 71 -0.434 5.271 -3.477 570 1HD2 LEU 71 1HD2 LEU 71 3.610 5.179 -4.604 571 2HD2 LEU 71 3HD2 LEU 71 2.857 6.766 -4.738 572 3HD2 LEU 71 2HD2 LEU 71 2.971 5.976 -3.166 573 H GLN 72 H GLN 72 0.393 2.087 -7.144 574 HA GLN 72 HA GLN 72 -1.189 4.117 -8.351 575 1HB GLN 72 2HB GLN 72 -0.418 1.329 -9.068 576 2HB GLN 72 1HB GLN 72 -1.788 2.025 -9.935 577 1HG GLN 72 2HG GLN 72 -0.203 4.102 -10.213 578 2HG GLN 72 1HG GLN 72 1.075 2.930 -9.889 579 1HE2 GLN 72 2HE2 GLN 72 -1.255 2.119 -13.187 580 2HE2 GLN 72 1HE2 GLN 72 -2.002 2.661 -11.763 581 H VAL 73 H VAL 73 -2.017 1.327 -6.500 582 HA VAL 73 HA VAL 73 -4.873 1.442 -7.148 583 HB VAL 73 HB VAL 73 -3.335 -0.173 -5.096 584 1HG1 VAL 73 3HG1 VAL 73 -5.793 0.260 -4.615 585 2HG1 VAL 73 2HG1 VAL 73 -6.137 -0.601 -6.115 586 3HG1 VAL 73 1HG1 VAL 73 -5.337 -1.435 -4.787 587 1HG2 VAL 73 3HG2 VAL 73 -3.442 -0.334 -7.882 588 2HG2 VAL 73 2HG2 VAL 73 -2.938 -1.626 -6.788 589 3HG2 VAL 73 1HG2 VAL 73 -4.616 -1.539 -7.342 590 H PHE 74 H PHE 74 -2.885 2.111 -4.246 591 HA PHE 74 HA PHE 74 -4.902 2.902 -2.507 592 1HB PHE 74 2HB PHE 74 -2.018 3.476 -2.859 593 2HB PHE 74 1HB PHE 74 -2.915 4.673 -1.940 594 HD1 PHE 74 HD2 PHE 74 -4.672 3.590 -0.190 595 HD2 PHE 74 HD1 PHE 74 -1.107 1.703 -1.672 596 HE1 PHE 74 HE2 PHE 74 -4.660 2.046 1.736 597 HE2 PHE 74 HE1 PHE 74 -1.114 0.170 0.278 598 HZ PHE 74 HZ PHE 74 -2.901 0.363 1.968 599 H ARG 75 H ARG 75 -2.964 4.878 -4.707 600 HA ARG 75 HA ARG 75 -4.476 7.279 -4.484 601 1HB ARG 75 2HB ARG 75 -2.646 6.143 -6.591 602 2HB ARG 75 1HB ARG 75 -3.512 7.651 -6.878 603 1HG ARG 75 2HG ARG 75 -2.579 8.297 -4.499 604 2HG ARG 75 1HG ARG 75 -1.386 7.046 -4.849 605 1HD ARG 75 2HD ARG 75 -1.820 9.679 -6.192 606 2HD ARG 75 1HD ARG 75 -0.311 8.861 -5.788 607 HE ARG 75 HE ARG 75 -1.847 8.516 -8.254 608 1HH1 ARG 75 1HH2 ARG 75 1.131 8.163 -6.846 609 2HH1 ARG 75 2HH2 ARG 75 1.552 6.683 -7.641 610 1HH2 ARG 75 2HH1 ARG 75 -1.620 6.173 -8.945 611 2HH2 ARG 75 1HH1 ARG 75 -0.006 5.557 -8.829 612 H GLU 76 H GLU 76 -4.775 4.478 -6.733 613 HA GLU 76 HA GLU 76 -6.813 5.560 -8.387 614 1HB GLU 76 2HB GLU 76 -6.114 2.784 -7.495 615 2HB GLU 76 1HB GLU 76 -7.617 3.048 -8.378 616 1HG GLU 76 2HG GLU 76 -5.057 4.217 -9.416 617 2HG GLU 76 1HG GLU 76 -5.431 2.520 -9.712 618 H ALA 77 H ALA 77 -6.929 4.393 -5.109 619 HA ALA 77 HA ALA 77 -9.851 4.232 -5.018 620 1HB ALA 77 3HB ALA 77 -7.901 3.069 -3.538 621 2HB ALA 77 2HB ALA 77 -8.266 4.456 -2.514 622 3HB ALA 77 1HB ALA 77 -9.540 3.314 -2.931 623 H LYS 78 H LYS 78 -7.393 6.396 -3.528 624 HA LYS 78 HA LYS 78 -9.287 8.262 -2.512 625 1HB LYS 78 2HB LYS 78 -7.429 9.558 -1.986 626 2HB LYS 78 1HB LYS 78 -6.701 7.963 -2.103 627 1HG LYS 78 2HG LYS 78 -5.248 8.975 -3.530 628 2HG LYS 78 1HG LYS 78 -6.555 8.812 -4.704 629 1HD LYS 78 2HD LYS 78 -5.666 11.135 -4.608 630 2HD LYS 78 1HD LYS 78 -7.369 11.053 -4.158 631 1HE LYS 78 2HE LYS 78 -6.913 11.365 -1.875 632 2HE LYS 78 1HE LYS 78 -5.230 10.869 -2.047 633 1HZ LYS 78 1HZ LYS 78 -6.163 13.228 -3.517 634 2HZ LYS 78 3HZ LYS 78 -5.867 13.378 -1.854 635 3HZ LYS 78 2HZ LYS 78 -4.620 12.881 -2.895 636 H ALA 79 H ALA 79 -8.375 7.517 -5.695 637 HA ALA 79 HA ALA 79 -8.973 10.186 -6.805 638 1HB ALA 79 1HB ALA 79 -7.346 8.119 -7.631 639 2HB ALA 79 3HB ALA 79 -8.777 7.888 -8.641 640 3HB ALA 79 2HB ALA 79 -7.909 9.429 -8.672 641 H GLU 80 H GLU 80 -10.056 6.936 -7.696 642 HA GLU 80 HA GLU 80 -12.409 7.628 -8.995 643 1HB GLU 80 2HB GLU 80 -12.090 5.185 -7.239 644 2HB GLU 80 1HB GLU 80 -13.095 5.358 -8.676 645 1HG GLU 80 2HG GLU 80 -10.372 6.060 -9.307 646 2HG GLU 80 1HG GLU 80 -10.429 4.455 -8.579 647 H GLY 81 H GLY 81 -12.274 6.528 -5.562 648 1HA GLY 81 2HA GLY 81 -14.230 8.582 -4.828 649 2HA GLY 81 1HA GLY 81 -14.906 6.952 -4.843 650 H ALA 82 H ALA 82 -12.424 5.674 -3.935 651 HA ALA 82 HA ALA 82 -12.780 5.427 -1.238 652 1HB ALA 82 1HB ALA 82 -10.796 4.678 -3.026 653 2HB ALA 82 3HB ALA 82 -9.926 5.633 -1.825 654 3HB ALA 82 2HB ALA 82 -10.869 4.229 -1.322 655 H ASP 83 H ASP 83 -11.980 6.449 0.653 656 HA ASP 83 HA ASP 83 -11.212 9.308 0.252 657 1HB ASP 83 2HB ASP 83 -12.775 7.842 2.348 658 2HB ASP 83 1HB ASP 83 -11.864 9.273 2.835 659 H ILE 84 H ILE 84 -9.096 7.829 -0.169 660 HA ILE 84 HA ILE 84 -7.703 7.369 2.413 661 HB ILE 84 HB ILE 84 -7.068 6.563 -0.435 662 1HG1 ILE 84 2HG1 ILE 84 -7.243 4.599 1.744 663 2HG1 ILE 84 1HG1 ILE 84 -8.749 5.450 1.408 664 1HG2 ILE 84 3HG2 ILE 84 -5.015 7.145 0.938 665 2HG2 ILE 84 2HG2 ILE 84 -5.516 5.896 2.081 666 3HG2 ILE 84 1HG2 ILE 84 -5.093 5.459 0.424 667 1HD1 ILE 84 2HD1 ILE 84 -7.228 4.504 -0.956 668 2HD1 ILE 84 1HD1 ILE 84 -7.973 3.256 0.041 669 3HD1 ILE 84 3HD1 ILE 84 -8.968 4.524 -0.670 670 H THR 85 H THR 85 -5.533 8.237 2.686 671 HA THR 85 HA THR 85 -5.118 10.780 1.173 672 HB THR 85 HB THR 85 -4.262 10.059 3.997 673 HG1 THR 85 HG1 THR 85 -6.559 10.601 3.406 674 1HG2 THR 85 2HG2 THR 85 -3.146 11.903 2.209 675 2HG2 THR 85 1HG2 THR 85 -4.184 12.866 3.260 676 3HG2 THR 85 3HG2 THR 85 -2.913 11.860 3.956 677 H ILE 86 H ILE 86 -3.794 9.868 -0.442 678 HA ILE 86 HA ILE 86 -1.580 8.124 0.240 679 HB ILE 86 HB ILE 86 -2.765 9.268 -2.211 680 1HG1 ILE 86 2HG1 ILE 86 -2.558 7.038 -2.982 681 2HG1 ILE 86 1HG1 ILE 86 -1.239 6.685 -1.869 682 1HG2 ILE 86 3HG2 ILE 86 0.203 8.668 -2.041 683 2HG2 ILE 86 2HG2 ILE 86 -0.697 8.760 -3.555 684 3HG2 ILE 86 1HG2 ILE 86 -0.546 10.188 -2.531 685 1HD1 ILE 86 3HD1 ILE 86 -3.592 7.518 -0.394 686 2HD1 ILE 86 2HD1 ILE 86 -3.983 6.176 -1.464 687 3HD1 ILE 86 1HD1 ILE 86 -2.690 6.005 -0.278 688 H ILE 87 H ILE 87 0.073 8.926 1.405 689 HA ILE 87 HA ILE 87 0.795 11.762 1.244 690 HB ILE 87 HB ILE 87 2.070 9.431 2.696 691 1HG1 ILE 87 2HG1 ILE 87 -0.209 10.180 3.442 692 2HG1 ILE 87 1HG1 ILE 87 1.038 10.417 4.667 693 1HG2 ILE 87 1HG2 ILE 87 2.839 12.307 2.406 694 2HG2 ILE 87 3HG2 ILE 87 3.058 11.542 3.980 695 3HG2 ILE 87 2HG2 ILE 87 3.869 10.883 2.559 696 1HD1 ILE 87 3HD1 ILE 87 0.929 12.732 2.962 697 2HD1 ILE 87 2HD1 ILE 87 -0.688 12.377 3.568 698 3HD1 ILE 87 1HD1 ILE 87 0.642 12.629 4.699 699 H LEU 88 H LEU 88 2.661 8.754 0.635 700 HA LEU 88 HA LEU 88 4.327 8.336 -0.968 701 1HB LEU 88 2HB LEU 88 2.633 10.410 -2.165 702 2HB LEU 88 1HB LEU 88 4.300 10.462 -2.739 703 HG LEU 88 HG LEU 88 2.574 7.971 -2.681 704 1HD1 LEU 88 1HD1 LEU 88 2.455 10.137 -4.451 705 2HD1 LEU 88 3HD1 LEU 88 3.437 8.934 -5.288 706 3HD1 LEU 88 2HD1 LEU 88 1.815 8.518 -4.733 707 1HD2 LEU 88 2HD2 LEU 88 5.420 8.569 -3.332 708 2HD2 LEU 88 1HD2 LEU 88 4.705 7.102 -2.665 709 3HD2 LEU 88 3HD2 LEU 88 4.583 7.436 -4.393 710 H SER 89 HN SER 89 4.521 11.829 -1.400 711 HA SER 89 HA SER 89 6.352 13.263 -1.035 712 1HB SER 89 2HB SER 89 5.379 13.166 1.235 713 2HB SER 89 1HB SER 89 6.354 11.739 1.591 714 HG SER 89 HG SER 89 7.027 14.320 1.745 No H/Q in entry = 714 Start of MODEL 11 1 1H LYS 1 1H LYS 1 -8.025 4.036 7.577 2 2H LYS 1 3H LYS 1 -9.022 3.260 8.709 3 3H LYS 1 2H LYS 1 -8.865 4.952 8.736 4 HA LYS 1 HA LYS 1 -7.473 4.367 10.446 5 1HB LYS 1 2HB LYS 1 -6.857 1.959 8.726 6 2HB LYS 1 1HB LYS 1 -5.898 2.367 10.148 7 1HG LYS 1 2HG LYS 1 -8.646 2.541 10.887 8 2HG LYS 1 1HG LYS 1 -8.415 1.009 10.042 9 1HD LYS 1 2HD LYS 1 -6.645 0.360 11.539 10 2HD LYS 1 1HD LYS 1 -6.604 1.964 12.273 11 1HE LYS 1 2HE LYS 1 -8.745 1.661 13.289 12 2HE LYS 1 1HE LYS 1 -9.074 0.220 12.327 13 1HZ LYS 1 1HZ LYS 1 -6.665 0.156 13.952 14 2HZ LYS 1 3HZ LYS 1 -8.130 0.134 14.804 15 3HZ LYS 1 2HZ LYS 1 -7.805 -1.066 13.646 16 H LYS 2 H LYS 2 -4.783 3.849 10.242 17 HA LYS 2 HA LYS 2 -3.893 5.713 8.079 18 1HB LYS 2 2HB LYS 2 -3.617 7.048 9.967 19 2HB LYS 2 1HB LYS 2 -3.287 5.672 11.015 20 1HG LYS 2 2HG LYS 2 -1.056 5.482 10.271 21 2HG LYS 2 1HG LYS 2 -1.368 6.428 8.815 22 1HD LYS 2 2HD LYS 2 -1.997 8.300 10.606 23 2HD LYS 2 1HD LYS 2 -0.904 7.355 11.618 24 1HE LYS 2 2HE LYS 2 0.592 7.450 9.393 25 2HE LYS 2 1HE LYS 2 -0.319 8.942 9.163 26 1HZ LYS 2 3HZ LYS 2 0.963 8.325 11.749 27 2HZ LYS 2 2HZ LYS 2 1.845 9.045 10.487 28 3HZ LYS 2 1HZ LYS 2 0.484 9.831 11.134 29 H ALA 3 H ALA 3 -2.808 4.410 6.657 30 HA ALA 3 HA ALA 3 -1.134 2.210 7.739 31 1HB ALA 3 3HB ALA 3 -2.642 2.623 5.308 32 2HB ALA 3 2HB ALA 3 -0.955 2.288 4.917 33 3HB ALA 3 1HB ALA 3 -1.877 1.147 5.896 34 H VAL 4 H VAL 4 1.108 2.248 7.519 35 HA VAL 4 HA VAL 4 2.261 4.696 6.255 36 HB VAL 4 HB VAL 4 3.104 3.381 8.855 37 1HG1 VAL 4 3HG1 VAL 4 4.609 4.895 6.958 38 2HG1 VAL 4 2HG1 VAL 4 4.344 5.914 8.373 39 3HG1 VAL 4 1HG1 VAL 4 5.116 4.339 8.553 40 1HG2 VAL 4 1HG2 VAL 4 1.031 4.960 8.706 41 2HG2 VAL 4 3HG2 VAL 4 2.243 5.282 9.945 42 3HG2 VAL 4 2HG2 VAL 4 2.222 6.237 8.461 43 H ILE 5 H ILE 5 3.778 4.242 4.774 44 HA ILE 5 HA ILE 5 4.746 1.453 4.531 45 HB ILE 5 HB ILE 5 5.275 3.781 2.674 46 1HG1 ILE 5 2HG1 ILE 5 2.771 3.197 3.309 47 2HG1 ILE 5 1HG1 ILE 5 3.211 3.490 1.639 48 1HG2 ILE 5 3HG2 ILE 5 5.816 0.899 2.677 49 2HG2 ILE 5 2HG2 ILE 5 5.007 1.446 1.208 50 3HG2 ILE 5 1HG2 ILE 5 6.534 2.179 1.697 51 1HD1 ILE 5 3HD1 ILE 5 3.569 0.695 2.454 52 2HD1 ILE 5 2HD1 ILE 5 1.900 1.257 2.558 53 3HD1 ILE 5 1HD1 ILE 5 2.771 1.361 1.027 54 H ASN 6 H ASN 6 6.569 1.020 5.650 55 HA ASN 6 HA ASN 6 8.570 3.203 5.954 56 1HB ASN 6 2HB ASN 6 8.785 0.656 7.497 57 2HB ASN 6 1HB ASN 6 9.190 2.300 7.991 58 1HD2 ASN 6 2HD2 ASN 6 6.215 2.395 9.843 59 2HD2 ASN 6 1HD2 ASN 6 7.898 2.615 9.801 60 H GLY 7 H GLY 7 9.726 2.955 4.027 61 1HA GLY 7 2HA GLY 7 10.466 0.377 2.979 62 2HA GLY 7 1HA GLY 7 11.159 1.926 2.479 63 H GLU 8 H GLU 8 11.520 2.080 5.676 64 HA GLU 8 HA GLU 8 14.322 1.319 5.540 65 1HB GLU 8 2HB GLU 8 13.811 3.270 6.840 66 2HB GLU 8 1HB GLU 8 12.584 2.403 7.766 67 1HG GLU 8 2HG GLU 8 14.119 1.493 9.167 68 2HG GLU 8 1HG GLU 8 15.240 1.141 7.850 69 H GLN 9 H GLN 9 11.425 -0.251 6.324 70 HA GLN 9 HA GLN 9 12.936 -2.406 7.736 71 1HB GLN 9 2HB GLN 9 11.213 -1.289 9.155 72 2HB GLN 9 1HB GLN 9 9.985 -1.763 7.979 73 1HG GLN 9 2HG GLN 9 9.789 -3.692 9.135 74 2HG GLN 9 1HG GLN 9 11.374 -4.127 8.495 75 1HE2 GLN 9 2HE2 GLN 9 11.913 -4.404 12.088 76 2HE2 GLN 9 1HE2 GLN 9 11.247 -5.290 10.803 77 H ILE 10 H ILE 10 10.918 -1.551 5.099 78 HA ILE 10 HA ILE 10 9.995 -4.214 4.443 79 HB ILE 10 HB ILE 10 10.317 -1.754 2.699 80 1HG1 ILE 10 2HG1 ILE 10 8.748 -1.540 4.641 81 2HG1 ILE 10 1HG1 ILE 10 7.925 -1.449 3.085 82 1HG2 ILE 10 1HG2 ILE 10 9.249 -4.505 2.209 83 2HG2 ILE 10 3HG2 ILE 10 8.415 -3.142 1.461 84 3HG2 ILE 10 2HG2 ILE 10 10.121 -3.430 1.116 85 1HD1 ILE 10 2HD1 ILE 10 7.857 -4.133 3.534 86 2HD1 ILE 10 1HD1 ILE 10 7.769 -3.525 5.187 87 3HD1 ILE 10 3HD1 ILE 10 6.561 -3.031 4.000 88 H ARG 11 H ARG 11 11.619 -5.705 4.240 89 HA ARG 11 HA ARG 11 14.201 -5.151 3.063 90 1HB ARG 11 2HB ARG 11 13.218 -7.939 2.860 91 2HB ARG 11 1HB ARG 11 14.711 -7.324 3.571 92 1HG ARG 11 2HG ARG 11 13.264 -6.442 5.484 93 2HG ARG 11 1HG ARG 11 11.965 -7.432 4.814 94 1HD ARG 11 2HD ARG 11 13.894 -9.291 4.849 95 2HD ARG 11 1HD ARG 11 14.489 -8.277 6.163 96 HE ARG 11 HE ARG 11 11.688 -9.322 6.180 97 1HH1 ARG 11 1HH2 ARG 11 14.697 -10.185 7.286 98 2HH1 ARG 11 2HH2 ARG 11 14.294 -10.179 8.969 99 1HH2 ARG 11 2HH1 ARG 11 11.188 -8.711 8.493 100 2HH2 ARG 11 1HH1 ARG 11 12.307 -9.345 9.654 101 H SER 12 H SER 12 11.222 -6.640 1.874 102 HA SER 12 HA SER 12 12.046 -5.928 -0.892 103 1HB SER 12 2HB SER 12 11.806 -8.090 -1.756 104 2HB SER 12 1HB SER 12 12.596 -8.401 -0.213 105 HG SER 12 HG SER 12 10.775 -9.741 -0.514 106 H ILE 13 H ILE 13 10.128 -6.191 -2.409 107 HA ILE 13 HA ILE 13 7.904 -4.732 -1.585 108 HB ILE 13 HB ILE 13 8.426 -5.326 -3.950 109 1HG1 ILE 13 2HG1 ILE 13 6.075 -5.666 -4.656 110 2HG1 ILE 13 1HG1 ILE 13 5.652 -6.118 -3.005 111 1HG2 ILE 13 1HG2 ILE 13 8.195 -7.976 -2.857 112 2HG2 ILE 13 3HG2 ILE 13 7.019 -7.784 -4.157 113 3HG2 ILE 13 2HG2 ILE 13 8.731 -7.494 -4.466 114 1HD1 ILE 13 3HD1 ILE 13 6.935 -3.466 -3.687 115 2HD1 ILE 13 2HD1 ILE 13 5.186 -3.690 -3.631 116 3HD1 ILE 13 1HD1 ILE 13 6.153 -3.930 -2.176 117 H SER 14 H SER 14 8.625 -8.078 -0.965 118 HA SER 14 HA SER 14 6.019 -9.072 -0.436 119 1HB SER 14 2HB SER 14 8.278 -10.332 -0.492 120 2HB SER 14 1HB SER 14 8.435 -9.849 1.195 121 HG SER 14 HG SER 14 6.418 -10.862 1.577 122 H ASP 15 H ASP 15 8.379 -7.689 1.892 123 HA ASP 15 HA ASP 15 6.590 -7.709 4.109 124 1HB ASP 15 2HB ASP 15 9.217 -6.597 3.445 125 2HB ASP 15 1HB ASP 15 8.309 -5.602 4.574 126 H LEU 16 H LEU 16 6.753 -5.737 1.341 127 HA LEU 16 HA LEU 16 5.605 -3.312 2.410 128 1HB LEU 16 2HB LEU 16 6.776 -3.518 0.194 129 2HB LEU 16 1HB LEU 16 5.388 -4.417 -0.402 130 HG LEU 16 HG LEU 16 4.214 -2.522 -0.770 131 1HD1 LEU 16 2HD1 LEU 16 5.152 -1.572 1.956 132 2HD1 LEU 16 1HD1 LEU 16 4.061 -0.656 0.916 133 3HD1 LEU 16 3HD1 LEU 16 3.566 -2.226 1.550 134 1HD2 LEU 16 1HD2 LEU 16 6.833 -1.964 -1.098 135 2HD2 LEU 16 3HD2 LEU 16 5.549 -0.811 -1.460 136 3HD2 LEU 16 2HD2 LEU 16 6.406 -0.724 0.080 137 H HIS 17 H HIS 17 4.145 -5.822 0.344 138 HA HIS 17 HA HIS 17 1.458 -5.034 0.772 139 1HB HIS 17 2HB HIS 17 2.607 -7.757 0.132 140 2HB HIS 17 1HB HIS 17 0.896 -7.335 -0.007 141 HD1 HIS 17 HD1 HIS 17 0.211 -5.738 -1.937 142 HD2 HIS 17 HD2 HIS 17 4.288 -6.599 -1.850 143 HE1 HIS 17 HE1 HIS 17 1.165 -4.910 -4.133 144 H GLN 18 H GLN 18 3.649 -6.755 2.780 145 HA GLN 18 HA GLN 18 1.576 -7.929 4.475 146 1HB GLN 18 2HB GLN 18 4.568 -7.625 4.843 147 2HB GLN 18 1HB GLN 18 3.517 -8.468 5.982 148 1HG GLN 18 2HG GLN 18 2.729 -9.774 3.833 149 2HG GLN 18 1HG GLN 18 4.281 -9.242 3.185 150 1HE2 GLN 18 2HE2 GLN 18 4.476 -12.513 5.234 151 2HE2 GLN 18 1HE2 GLN 18 3.280 -12.004 4.142 152 H THR 19 H THR 19 3.534 -5.082 4.346 153 HA THR 19 HA THR 19 2.915 -4.121 7.001 154 HB THR 19 HB THR 19 4.124 -2.941 4.517 155 HG1 THR 19 HG1 THR 19 5.462 -3.998 5.951 156 1HG2 THR 19 2HG2 THR 19 2.657 -1.447 6.574 157 2HG2 THR 19 1HG2 THR 19 4.321 -0.903 6.368 158 3HG2 THR 19 3HG2 THR 19 3.224 -0.921 4.988 159 H LEU 20 H LEU 20 1.474 -3.856 3.845 160 HA LEU 20 HA LEU 20 -0.550 -1.915 4.735 161 1HB LEU 20 2HB LEU 20 -1.033 -3.571 2.303 162 2HB LEU 20 1HB LEU 20 -1.304 -1.846 2.556 163 HG LEU 20 HG LEU 20 1.394 -3.151 2.245 164 1HD1 LEU 20 2HD1 LEU 20 -0.117 -3.063 0.193 165 2HD1 LEU 20 1HD1 LEU 20 0.004 -1.306 0.318 166 3HD1 LEU 20 3HD1 LEU 20 1.455 -2.268 0.034 167 1HD2 LEU 20 3HD2 LEU 20 0.842 -0.848 3.570 168 2HD2 LEU 20 2HD2 LEU 20 2.339 -1.108 2.674 169 3HD2 LEU 20 1HD2 LEU 20 1.002 -0.235 1.924 170 H LYS 21 H LYS 21 -0.139 -5.343 4.336 171 HA LYS 21 HA LYS 21 -2.921 -6.037 4.809 172 1HB LYS 21 2HB LYS 21 -1.449 -7.586 3.624 173 2HB LYS 21 1HB LYS 21 -0.372 -7.666 5.022 174 1HG LYS 21 2HG LYS 21 -1.678 -9.204 6.038 175 2HG LYS 21 1HG LYS 21 -3.136 -8.255 5.744 176 1HD LYS 21 2HD LYS 21 -3.723 -9.798 4.207 177 2HD LYS 21 1HD LYS 21 -2.386 -9.211 3.216 178 1HE LYS 21 2HE LYS 21 -1.596 -11.057 5.387 179 2HE LYS 21 1HE LYS 21 -2.596 -11.785 4.129 180 1HZ LYS 21 3HZ LYS 21 -0.562 -10.075 3.068 181 2HZ LYS 21 2HZ LYS 21 0.088 -11.346 3.990 182 3HZ LYS 21 1HZ LYS 21 -0.935 -11.683 2.675 183 H LYS 22 H LYS 22 -0.216 -5.149 6.737 184 HA LYS 22 HA LYS 22 -1.387 -6.296 9.197 185 1HB LYS 22 2HB LYS 22 0.680 -5.955 10.194 186 2HB LYS 22 1HB LYS 22 1.179 -6.117 8.512 187 1HG LYS 22 2HG LYS 22 2.279 -4.162 9.011 188 2HG LYS 22 1HG LYS 22 0.727 -3.479 8.532 189 1HD LYS 22 2HD LYS 22 0.771 -2.473 10.568 190 2HD LYS 22 1HD LYS 22 0.282 -4.055 11.177 191 1HE LYS 22 2HE LYS 22 2.765 -4.626 11.311 192 2HE LYS 22 1HE LYS 22 3.080 -2.914 11.025 193 1HZ LYS 22 1HZ LYS 22 1.572 -2.469 12.956 194 2HZ LYS 22 3HZ LYS 22 1.605 -4.131 13.289 195 3HZ LYS 22 2HZ LYS 22 3.042 -3.226 13.349 196 H GLU 23 H GLU 23 -0.946 -3.182 7.589 197 HA GLU 23 HA GLU 23 -1.899 -1.661 9.897 198 1HB GLU 23 2HB GLU 23 -1.486 -0.835 7.019 199 2HB GLU 23 1HB GLU 23 -1.823 0.267 8.356 200 1HG GLU 23 2HG GLU 23 0.271 -0.018 9.304 201 2HG GLU 23 1HG GLU 23 0.470 -1.635 8.629 202 H LEU 24 H LEU 24 -3.173 -2.406 6.710 203 HA LEU 24 HA LEU 24 -5.786 -1.300 7.258 204 1HB LEU 24 2HB LEU 24 -5.103 -3.307 5.101 205 2HB LEU 24 1HB LEU 24 -6.375 -2.082 5.084 206 HG LEU 24 HG LEU 24 -3.469 -1.314 5.339 207 1HD1 LEU 24 1HD1 LEU 24 -4.914 -2.309 2.973 208 2HD1 LEU 24 3HD1 LEU 24 -4.081 -0.769 2.738 209 3HD1 LEU 24 2HD1 LEU 24 -3.180 -2.190 3.274 210 1HD2 LEU 24 3HD2 LEU 24 -6.053 0.022 5.117 211 2HD2 LEU 24 2HD2 LEU 24 -4.495 0.668 5.630 212 3HD2 LEU 24 1HD2 LEU 24 -4.897 0.594 3.913 213 H ALA 25 H ALA 25 -4.242 -4.329 7.867 214 HA ALA 25 HA ALA 25 -5.049 -6.136 9.150 215 1HB ALA 25 3HB ALA 25 -6.798 -4.079 9.773 216 2HB ALA 25 2HB ALA 25 -7.868 -5.359 9.199 217 3HB ALA 25 1HB ALA 25 -6.765 -5.666 10.541 218 H LEU 26 H LEU 26 -4.739 -6.583 6.535 219 HA LEU 26 HA LEU 26 -7.233 -7.510 5.295 220 1HB LEU 26 2HB LEU 26 -4.393 -8.059 4.368 221 2HB LEU 26 1HB LEU 26 -5.867 -8.023 3.395 222 HG LEU 26 HG LEU 26 -4.701 -5.636 4.848 223 1HD1 LEU 26 1HD1 LEU 26 -3.503 -6.548 2.753 224 2HD1 LEU 26 3HD1 LEU 26 -4.947 -6.048 1.874 225 3HD1 LEU 26 2HD1 LEU 26 -3.979 -4.849 2.731 226 1HD2 LEU 26 3HD2 LEU 26 -7.309 -6.217 3.686 227 2HD2 LEU 26 2HD2 LEU 26 -6.801 -4.828 4.647 228 3HD2 LEU 26 1HD2 LEU 26 -6.545 -4.835 2.902 229 HA PRO 27 HA PRO 27 -7.031 -11.651 6.675 230 1HB PRO 27 2HB PRO 27 -7.702 -13.080 4.426 231 2HB PRO 27 1HB PRO 27 -8.860 -12.120 5.368 232 1HG PRO 27 2HG PRO 27 -7.633 -11.515 2.725 233 2HG PRO 27 1HG PRO 27 -9.173 -10.960 3.397 234 1HD PRO 27 2HD PRO 27 -6.774 -9.476 3.247 235 2HD PRO 27 1HD PRO 27 -8.217 -9.032 4.183 236 H GLU 28 H GLU 28 -6.269 -14.008 5.643 237 HA GLU 28 HA GLU 28 -3.363 -13.764 5.497 238 1HB GLU 28 2HB GLU 28 -4.471 -15.548 6.801 239 2HB GLU 28 1HB GLU 28 -5.171 -16.192 5.311 240 1HG GLU 28 2HG GLU 28 -2.656 -16.210 4.503 241 2HG GLU 28 1HG GLU 28 -2.314 -16.225 6.234 242 H TYR 29 H TYR 29 -5.897 -15.038 3.328 243 HA TYR 29 HA TYR 29 -4.171 -15.918 1.281 244 1HB TYR 29 2HB TYR 29 -6.147 -15.771 -0.200 245 2HB TYR 29 1HB TYR 29 -6.513 -16.545 1.345 246 HD1 TYR 29 HD2 TYR 29 -6.462 -13.132 -0.229 247 HD2 TYR 29 HD1 TYR 29 -8.337 -15.805 2.565 248 HE1 TYR 29 HE2 TYR 29 -8.248 -11.459 0.173 249 HE2 TYR 29 HE1 TYR 29 -10.124 -14.128 2.969 250 HH TYR 29 HH TYR 29 -11.142 -12.201 1.750 251 H TYR 30 H TYR 30 -4.645 -12.700 2.224 252 HA TYR 30 HA TYR 30 -4.757 -11.091 0.019 253 1HB TYR 30 2HB TYR 30 -4.199 -10.260 2.274 254 2HB TYR 30 1HB TYR 30 -2.571 -10.919 2.107 255 HD1 TYR 30 HD1 TYR 30 -1.273 -10.165 -0.052 256 HD2 TYR 30 HD2 TYR 30 -4.609 -8.069 1.593 257 HE1 TYR 30 HE1 TYR 30 -0.513 -8.090 -1.178 258 HE2 TYR 30 HE2 TYR 30 -3.860 -5.982 0.453 259 HH TYR 30 HH TYR 30 -1.609 -5.071 -0.402 260 H GLY 31 H GLY 31 -3.295 -10.399 -1.601 261 1HA GLY 31 2HA GLY 31 -0.993 -12.216 -2.146 262 2HA GLY 31 1HA GLY 31 -2.098 -11.697 -3.429 263 H GLU 32 H GLU 32 0.867 -11.121 -2.363 264 HA GLU 32 HA GLU 32 1.104 -8.348 -1.943 265 1HB GLU 32 2HB GLU 32 2.922 -10.436 -3.097 266 2HB GLU 32 1HB GLU 32 3.432 -8.747 -3.024 267 1HG GLU 32 2HG GLU 32 3.912 -8.960 -0.835 268 2HG GLU 32 1HG GLU 32 2.257 -9.479 -0.506 269 H ASN 33 H ASN 33 -0.453 -7.326 -3.481 270 HA ASN 33 HA ASN 33 0.819 -6.261 -5.755 271 1HB ASN 33 2HB ASN 33 -0.801 -7.544 -7.451 272 2HB ASN 33 1HB ASN 33 0.804 -8.159 -7.051 273 1HD2 ASN 33 2HD2 ASN 33 -2.246 -9.906 -4.919 274 2HD2 ASN 33 1HD2 ASN 33 -2.194 -8.216 -5.068 275 H LEU 34 H LEU 34 -0.787 -5.287 -7.363 276 HA LEU 34 HA LEU 34 -2.627 -3.665 -5.871 277 1HB LEU 34 2HB LEU 34 -3.314 -2.881 -8.195 278 2HB LEU 34 1HB LEU 34 -1.603 -2.701 -7.806 279 HG LEU 34 HG LEU 34 -2.315 -5.309 -8.985 280 1HD1 LEU 34 3HD1 LEU 34 -3.574 -3.134 -10.130 281 2HD1 LEU 34 2HD1 LEU 34 -2.078 -3.240 -11.058 282 3HD1 LEU 34 1HD1 LEU 34 -3.164 -4.627 -10.975 283 1HD2 LEU 34 3HD2 LEU 34 -0.050 -3.711 -8.591 284 2HD2 LEU 34 2HD2 LEU 34 -0.121 -5.212 -9.515 285 3HD2 LEU 34 1HD2 LEU 34 -0.326 -3.663 -10.332 286 H ASP 35 H ASP 35 -3.000 -6.821 -7.032 287 HA ASP 35 HA ASP 35 -5.819 -6.534 -7.754 288 1HB ASP 35 2HB ASP 35 -5.379 -9.222 -7.147 289 2HB ASP 35 1HB ASP 35 -5.392 -8.500 -8.748 290 H ALA 36 H ALA 36 -4.029 -7.999 -5.028 291 HA ALA 36 HA ALA 36 -6.450 -8.415 -3.481 292 1HB ALA 36 2HB ALA 36 -3.500 -8.582 -2.888 293 2HB ALA 36 1HB ALA 36 -4.687 -8.678 -1.579 294 3HB ALA 36 3HB ALA 36 -4.703 -9.877 -2.875 295 H LEU 37 H LEU 37 -3.962 -5.995 -3.700 296 HA LEU 37 HA LEU 37 -4.783 -4.460 -1.401 297 1HB LEU 37 2HB LEU 37 -2.550 -4.233 -2.480 298 2HB LEU 37 1HB LEU 37 -3.340 -3.524 -3.890 299 HG LEU 37 HG LEU 37 -4.407 -2.107 -1.737 300 1HD1 LEU 37 2HD1 LEU 37 -1.530 -2.847 -1.280 301 2HD1 LEU 37 1HD1 LEU 37 -2.107 -1.254 -0.792 302 3HD1 LEU 37 3HD1 LEU 37 -2.843 -2.704 -0.112 303 1HD2 LEU 37 3HD2 LEU 37 -2.416 -1.618 -3.910 304 2HD2 LEU 37 2HD2 LEU 37 -3.979 -0.855 -3.623 305 3HD2 LEU 37 1HD2 LEU 37 -2.579 -0.385 -2.659 306 H TRP 38 H TRP 38 -5.205 -3.813 -4.900 307 HA TRP 38 HA TRP 38 -7.094 -1.715 -4.604 308 1HB TRP 38 2HB TRP 38 -5.999 -2.340 -6.755 309 2HB TRP 38 1HB TRP 38 -6.893 -3.850 -6.734 310 HD1 TRP 38 HD1 TRP 38 -8.712 -3.829 -8.369 311 HE1 TRP 38 HE1 TRP 38 -10.456 -2.159 -9.253 312 HE3 TRP 38 HE3 TRP 38 -7.419 0.353 -5.693 313 HZ2 TRP 38 HZ2 TRP 38 -11.193 0.566 -8.906 314 HZ3 TRP 38 HZ3 TRP 38 -8.645 2.468 -6.028 315 HH2 TRP 38 HH2 TRP 38 -10.538 2.580 -7.618 316 H ASP 39 H ASP 39 -7.384 -5.192 -4.675 317 HA ASP 39 HA ASP 39 -10.222 -5.400 -4.652 318 1HB ASP 39 2HB ASP 39 -7.960 -7.142 -3.786 319 2HB ASP 39 1HB ASP 39 -9.568 -7.539 -3.186 320 H ALA 40 H ALA 40 -7.878 -4.825 -2.129 321 HA ALA 40 HA ALA 40 -9.893 -4.949 0.009 322 1HB ALA 40 1HB ALA 40 -7.338 -5.462 0.191 323 2HB ALA 40 3HB ALA 40 -7.171 -3.712 0.339 324 3HB ALA 40 2HB ALA 40 -8.134 -4.610 1.514 325 H LEU 41 H LEU 41 -7.639 -2.311 -0.836 326 HA LEU 41 HA LEU 41 -8.861 -0.167 0.326 327 1HB LEU 41 2HB LEU 41 -7.656 -0.328 -2.438 328 2HB LEU 41 1HB LEU 41 -8.118 1.200 -1.686 329 HG LEU 41 HG LEU 41 -6.377 -0.738 -0.197 330 1HD1 LEU 41 2HD1 LEU 41 -5.491 1.263 -2.300 331 2HD1 LEU 41 1HD1 LEU 41 -4.403 0.565 -1.094 332 3HD1 LEU 41 3HD1 LEU 41 -5.187 -0.474 -2.287 333 1HD2 LEU 41 2HD2 LEU 41 -7.543 1.526 0.585 334 2HD2 LEU 41 1HD2 LEU 41 -5.964 1.026 1.184 335 3HD2 LEU 41 3HD2 LEU 41 -6.079 2.215 -0.116 336 H THR 42 H THR 42 -9.893 -1.736 -2.602 337 HA THR 42 HA THR 42 -12.141 0.099 -2.999 338 HB THR 42 HB THR 42 -12.763 -1.331 -4.851 339 HG1 THR 42 HG1 THR 42 -12.519 -3.356 -4.185 340 1HG2 THR 42 2HG2 THR 42 -9.807 -0.858 -4.493 341 2HG2 THR 42 1HG2 THR 42 -10.460 -1.537 -5.985 342 3HG2 THR 42 3HG2 THR 42 -10.958 0.069 -5.456 343 H GLY 43 H GLY 43 -12.163 -1.161 -0.360 344 1HA GLY 43 2HA GLY 43 -14.574 -1.599 0.453 345 2HA GLY 43 1HA GLY 43 -14.505 -2.983 -0.638 346 H TRP 44 H TRP 44 -12.047 -1.734 1.702 347 HA TRP 44 HA TRP 44 -12.527 -3.897 3.563 348 1HB TRP 44 2HB TRP 44 -11.485 -5.268 1.820 349 2HB TRP 44 1HB TRP 44 -10.114 -4.157 1.743 350 HD1 TRP 44 HD1 TRP 44 -8.821 -3.809 4.230 351 HE1 TRP 44 HE1 TRP 44 -8.217 -5.628 5.954 352 HE3 TRP 44 HE3 TRP 44 -12.003 -7.511 2.751 353 HZ2 TRP 44 HZ2 TRP 44 -8.987 -8.302 6.619 354 HZ3 TRP 44 HZ3 TRP 44 -12.052 -9.683 3.944 355 HH2 TRP 44 HH2 TRP 44 -10.547 -10.083 5.875 356 H VAL 45 H VAL 45 -9.679 -2.194 2.307 357 HA VAL 45 HA VAL 45 -8.274 -1.707 4.605 358 HB VAL 45 HB VAL 45 -8.736 -0.183 2.102 359 1HG1 VAL 45 1HG1 VAL 45 -7.536 0.990 4.587 360 2HG1 VAL 45 3HG1 VAL 45 -6.965 1.483 2.993 361 3HG1 VAL 45 2HG1 VAL 45 -8.653 1.721 3.438 362 1HG2 VAL 45 3HG2 VAL 45 -6.767 -1.925 3.269 363 2HG2 VAL 45 2HG2 VAL 45 -6.893 -1.358 1.604 364 3HG2 VAL 45 1HG2 VAL 45 -6.010 -0.403 2.795 365 H GLU 46 H GLU 46 -11.325 -0.292 3.750 366 HA GLU 46 HA GLU 46 -12.826 0.917 5.106 367 1HB GLU 46 2HB GLU 46 -11.467 -0.467 6.923 368 2HB GLU 46 1HB GLU 46 -10.808 1.124 7.301 369 1HG GLU 46 2HG GLU 46 -13.781 0.654 7.042 370 2HG GLU 46 1HG GLU 46 -12.934 0.424 8.572 371 H TYR 47 H TYR 47 -13.163 3.134 5.205 372 HA TYR 47 HA TYR 47 -10.750 4.891 5.049 373 1HB TYR 47 2HB TYR 47 -13.265 5.051 3.356 374 2HB TYR 47 1HB TYR 47 -11.945 6.217 3.312 375 HD1 TYR 47 HD2 TYR 47 -9.574 4.397 3.584 376 HD2 TYR 47 HD1 TYR 47 -13.160 4.029 1.234 377 HE1 TYR 47 HE2 TYR 47 -8.368 2.950 1.961 378 HE2 TYR 47 HE1 TYR 47 -11.946 2.593 -0.380 379 HH TYR 47 HH TYR 47 -9.644 2.196 -1.093 380 HA PRO 48 HA PRO 48 -10.996 7.281 4.350 381 1HB PRO 48 2HB PRO 48 -9.884 9.256 5.900 382 2HB PRO 48 1HB PRO 48 -11.368 9.457 4.949 383 1HG PRO 48 2HG PRO 48 -11.059 9.085 7.899 384 2HG PRO 48 1HG PRO 48 -12.324 9.942 7.000 385 1HD PRO 48 2HD PRO 48 -12.596 7.380 8.114 386 2HD PRO 48 1HD PRO 48 -13.642 8.065 6.848 387 H LEU 49 H LEU 49 -8.833 6.814 4.044 388 HA LEU 49 HA LEU 49 -7.405 5.582 6.364 389 1HB LEU 49 2HB LEU 49 -7.663 3.801 4.912 390 2HB LEU 49 1HB LEU 49 -7.709 4.834 3.488 391 HG LEU 49 HG LEU 49 -5.196 5.252 3.922 392 1HD1 LEU 49 2HD1 LEU 49 -5.553 4.082 6.281 393 2HD1 LEU 49 1HD1 LEU 49 -5.270 2.615 5.343 394 3HD1 LEU 49 3HD1 LEU 49 -4.041 3.877 5.395 395 1HD2 LEU 49 2HD2 LEU 49 -6.603 3.250 2.535 396 2HD2 LEU 49 1HD2 LEU 49 -4.953 3.799 2.232 397 3HD2 LEU 49 3HD2 LEU 49 -5.247 2.434 3.310 398 H VAL 50 H VAL 50 -4.995 5.842 6.270 399 HA VAL 50 HA VAL 50 -4.195 8.315 4.788 400 HB VAL 50 HB VAL 50 -3.984 7.643 7.672 401 1HG1 VAL 50 1HG1 VAL 50 -1.651 8.792 6.119 402 2HG1 VAL 50 3HG1 VAL 50 -1.881 9.094 7.841 403 3HG1 VAL 50 2HG1 VAL 50 -1.634 7.449 7.262 404 1HG2 VAL 50 2HG2 VAL 50 -5.212 9.576 6.419 405 2HG2 VAL 50 1HG2 VAL 50 -4.357 9.941 7.919 406 3HG2 VAL 50 3HG2 VAL 50 -3.614 10.323 6.365 407 H LEU 51 H LEU 51 -3.038 7.336 3.122 408 HA LEU 51 HA LEU 51 -1.251 5.075 3.726 409 1HB LEU 51 2HB LEU 51 -2.527 5.267 1.552 410 2HB LEU 51 1HB LEU 51 -1.504 6.651 1.149 411 HG LEU 51 HG LEU 51 0.484 5.037 1.608 412 1HD1 LEU 51 2HD1 LEU 51 -1.869 3.195 1.477 413 2HD1 LEU 51 1HD1 LEU 51 -0.307 2.664 0.838 414 3HD1 LEU 51 3HD1 LEU 51 -0.457 3.127 2.538 415 1HD2 LEU 51 3HD2 LEU 51 -1.371 4.870 -0.760 416 2HD2 LEU 51 2HD2 LEU 51 0.117 5.809 -0.605 417 3HD2 LEU 51 1HD2 LEU 51 0.191 4.051 -0.728 418 H GLU 52 H GLU 52 -0.122 6.694 5.328 419 HA GLU 52 HA GLU 52 1.556 8.760 4.226 420 1HB GLU 52 2HB GLU 52 1.089 8.776 6.600 421 2HB GLU 52 1HB GLU 52 1.744 7.149 6.789 422 1HG GLU 52 2HG GLU 52 3.839 7.946 7.009 423 2HG GLU 52 1HG GLU 52 3.687 8.889 5.525 424 H TRP 53 H TRP 53 2.532 7.708 2.357 425 HA TRP 53 HA TRP 53 4.155 5.326 2.751 426 1HB TRP 53 2HB TRP 53 2.969 6.178 0.570 427 2HB TRP 53 1HB TRP 53 4.455 7.112 0.356 428 HD1 TRP 53 HD1 TRP 53 6.755 5.413 0.966 429 HE1 TRP 53 HE1 TRP 53 7.209 3.100 -0.078 430 HE3 TRP 53 HE3 TRP 53 2.052 4.222 -0.610 431 HZ2 TRP 53 HZ2 TRP 53 5.759 1.026 -1.399 432 HZ3 TRP 53 HZ3 TRP 53 1.612 2.082 -1.764 433 HH2 TRP 53 HH2 TRP 53 3.463 0.471 -2.155 434 H ARG 54 H ARG 54 5.912 5.645 4.084 435 HA ARG 54 HA ARG 54 7.404 8.099 4.225 436 1HB ARG 54 2HB ARG 54 8.448 5.356 4.962 437 2HB ARG 54 1HB ARG 54 8.896 6.912 5.663 438 1HG ARG 54 2HG ARG 54 6.435 7.126 6.362 439 2HG ARG 54 1HG ARG 54 6.293 5.411 5.975 440 1HD ARG 54 2HD ARG 54 6.831 5.934 8.406 441 2HD ARG 54 1HD ARG 54 7.939 4.814 7.612 442 HE ARG 54 HE ARG 54 8.752 7.636 7.508 443 1HH1 ARG 54 2HH1 ARG 54 8.559 4.977 9.641 444 2HH1 ARG 54 1HH1 ARG 54 10.184 5.136 10.222 445 1HH2 ARG 54 1HH2 ARG 54 11.003 7.687 8.021 446 2HH2 ARG 54 2HH2 ARG 54 11.568 6.670 9.304 447 H GLN 55 H GLN 55 10.055 6.544 4.063 448 HA GLN 55 HA GLN 55 11.082 7.459 1.682 449 1HB GLN 55 2HB GLN 55 12.077 5.906 3.654 450 2HB GLN 55 1HB GLN 55 11.918 4.693 2.383 451 1HG GLN 55 2HG GLN 55 13.524 5.661 1.069 452 2HG GLN 55 1HG GLN 55 13.101 7.296 1.576 453 1HE2 GLN 55 2HE2 GLN 55 15.845 7.379 3.768 454 2HE2 GLN 55 1HE2 GLN 55 14.867 8.195 2.645 455 H PHE 56 H PHE 56 9.659 7.328 -0.091 456 HA PHE 56 HA PHE 56 8.570 4.723 -0.899 457 1HB PHE 56 2HB PHE 56 7.239 6.770 -1.244 458 2HB PHE 56 1HB PHE 56 8.500 7.416 -2.294 459 HD1 PHE 56 HD2 PHE 56 5.849 4.874 -1.957 460 HD2 PHE 56 HD1 PHE 56 8.869 6.516 -4.532 461 HE1 PHE 56 HE2 PHE 56 4.872 3.659 -3.877 462 HE2 PHE 56 HE1 PHE 56 7.892 5.300 -6.452 463 HZ PHE 56 HZ PHE 56 5.891 3.868 -6.127 464 H GLU 57 H GLU 57 11.197 6.883 -1.836 465 HA GLU 57 HA GLU 57 11.930 5.945 -4.337 466 1HB GLU 57 2HB GLU 57 13.381 7.024 -2.012 467 2HB GLU 57 1HB GLU 57 14.375 6.018 -3.067 468 1HG GLU 57 2HG GLU 57 13.266 7.407 -4.994 469 2HG GLU 57 1HG GLU 57 12.919 8.568 -3.713 470 H GLN 58 H GLN 58 13.942 4.656 -1.747 471 HA GLN 58 HA GLN 58 14.470 2.197 -2.988 472 1HB GLN 58 2HB GLN 58 14.939 1.348 -0.650 473 2HB GLN 58 1HB GLN 58 15.771 2.845 -1.069 474 1HG GLN 58 2HG GLN 58 14.862 3.195 1.114 475 2HG GLN 58 1HG GLN 58 13.808 4.078 0.010 476 1HE2 GLN 58 2HE2 GLN 58 12.400 0.585 1.676 477 2HE2 GLN 58 1HE2 GLN 58 14.074 0.797 1.497 478 H SER 59 H SER 59 13.702 -0.005 -2.105 479 HA SER 59 HA SER 59 11.965 -1.489 -1.480 480 1HB SER 59 2HB SER 59 10.176 -0.736 -0.246 481 2HB SER 59 1HB SER 59 11.218 0.677 -0.075 482 HG SER 59 HG SER 59 9.063 1.170 -0.781 483 H LYS 60 H LYS 60 11.177 1.243 -3.608 484 HA LYS 60 HA LYS 60 9.276 -0.368 -5.157 485 1HB LYS 60 2HB LYS 60 8.795 1.975 -4.943 486 2HB LYS 60 1HB LYS 60 10.413 2.410 -5.506 487 1HG LYS 60 2HG LYS 60 8.900 0.671 -7.351 488 2HG LYS 60 1HG LYS 60 8.210 2.279 -7.128 489 1HD LYS 60 2HD LYS 60 10.159 3.357 -7.900 490 2HD LYS 60 1HD LYS 60 11.157 1.925 -7.649 491 1HE LYS 60 2HE LYS 60 9.948 0.765 -9.468 492 2HE LYS 60 1HE LYS 60 8.967 2.206 -9.727 493 1HZ LYS 60 1HZ LYS 60 11.084 3.427 -10.115 494 2HZ LYS 60 3HZ LYS 60 11.898 1.939 -10.086 495 3HZ LYS 60 2HZ LYS 60 10.735 2.246 -11.285 496 H GLN 61 H GLN 61 12.663 0.544 -5.342 497 HA GLN 61 HA GLN 61 12.937 -0.160 -8.158 498 1HB GLN 61 2HB GLN 61 14.693 0.848 -6.008 499 2HB GLN 61 1HB GLN 61 15.485 -0.118 -7.254 500 1HG GLN 61 2HG GLN 61 15.485 1.705 -8.574 501 2HG GLN 61 1HG GLN 61 13.726 1.591 -8.637 502 1HE2 GLN 61 2HE2 GLN 61 15.487 4.418 -6.267 503 2HE2 GLN 61 1HE2 GLN 61 16.429 3.212 -7.001 504 H LEU 62 H LEU 62 14.450 -1.519 -5.290 505 HA LEU 62 HA LEU 62 15.618 -3.776 -6.252 506 1HB LEU 62 2HB LEU 62 14.343 -4.845 -4.018 507 2HB LEU 62 1HB LEU 62 15.908 -4.031 -4.034 508 HG LEU 62 HG LEU 62 14.826 -1.887 -3.593 509 1HD1 LEU 62 3HD1 LEU 62 12.489 -3.410 -4.406 510 2HD1 LEU 62 2HD1 LEU 62 12.217 -2.591 -2.879 511 3HD1 LEU 62 1HD1 LEU 62 12.690 -1.660 -4.301 512 1HD2 LEU 62 3HD2 LEU 62 13.985 -4.153 -1.772 513 2HD2 LEU 62 2HD2 LEU 62 15.410 -3.124 -1.617 514 3HD2 LEU 62 1HD2 LEU 62 13.803 -2.451 -1.347 515 H THR 63 H THR 63 12.193 -3.252 -6.173 516 HA THR 63 HA THR 63 11.671 -6.073 -6.921 517 HB THR 63 HB THR 63 9.931 -5.459 -5.522 518 HG1 THR 63 HG1 THR 63 8.422 -5.761 -6.914 519 1HG2 THR 63 1HG2 THR 63 10.443 -2.708 -6.582 520 2HG2 THR 63 3HG2 THR 63 8.881 -3.064 -5.843 521 3HG2 THR 63 2HG2 THR 63 10.364 -3.267 -4.912 522 H GLU 64 H GLU 64 9.832 -3.395 -8.210 523 HA GLU 64 HA GLU 64 11.009 -2.895 -10.673 524 1HB GLU 64 2HB GLU 64 9.630 -4.554 -12.116 525 2HB GLU 64 1HB GLU 64 11.078 -5.172 -11.320 526 1HG GLU 64 2HG GLU 64 9.862 -6.344 -9.715 527 2HG GLU 64 1HG GLU 64 8.445 -5.308 -9.884 528 H ASN 65 H ASN 65 8.099 -3.575 -8.881 529 HA ASN 65 HA ASN 65 6.835 -1.123 -9.543 530 1HB ASN 65 2HB ASN 65 6.598 -3.111 -11.593 531 2HB ASN 65 1HB ASN 65 5.016 -2.909 -10.839 532 1HD2 ASN 65 1HD2 ASN 65 7.024 -1.621 -13.226 533 2HD2 ASN 65 2HD2 ASN 65 6.313 -0.085 -13.358 534 H GLY 66 H GLY 66 7.300 -2.964 -7.319 535 1HA GLY 66 2HA GLY 66 4.703 -4.126 -6.630 536 2HA GLY 66 1HA GLY 66 6.128 -4.063 -5.584 537 H ALA 67 H ALA 67 6.723 -1.614 -5.062 538 HA ALA 67 HA ALA 67 4.520 -0.555 -3.521 539 1HB ALA 67 1HB ALA 67 7.242 0.545 -4.265 540 2HB ALA 67 3HB ALA 67 6.109 1.428 -3.244 541 3HB ALA 67 2HB ALA 67 6.740 -0.132 -2.717 542 H GLU 68 H GLU 68 5.959 0.294 -6.650 543 HA GLU 68 HA GLU 68 4.588 2.730 -7.061 544 1HB GLU 68 2HB GLU 68 6.078 0.810 -8.685 545 2HB GLU 68 1HB GLU 68 4.769 1.580 -9.582 546 1HG GLU 68 2HG GLU 68 6.288 3.447 -7.898 547 2HG GLU 68 1HG GLU 68 7.256 2.690 -9.161 548 H SER 69 H SER 69 3.543 -0.613 -7.431 549 HA SER 69 HA SER 69 1.066 0.182 -8.792 550 1HB SER 69 2HB SER 69 2.524 -2.200 -8.585 551 2HB SER 69 1HB SER 69 1.044 -2.506 -7.682 552 HG SER 69 HG SER 69 1.290 -2.625 -10.229 553 H VAL 70 H VAL 70 1.907 -1.103 -5.537 554 HA VAL 70 HA VAL 70 -0.698 -1.183 -4.501 555 HB VAL 70 HB VAL 70 1.848 -0.279 -3.114 556 1HG1 VAL 70 1HG1 VAL 70 -0.764 0.091 -2.240 557 2HG1 VAL 70 3HG1 VAL 70 -0.298 -1.428 -1.485 558 3HG1 VAL 70 2HG1 VAL 70 0.658 0.025 -1.200 559 1HG2 VAL 70 3HG2 VAL 70 0.775 -2.870 -3.908 560 2HG2 VAL 70 2HG2 VAL 70 2.363 -2.479 -3.246 561 3HG2 VAL 70 1HG2 VAL 70 1.006 -2.780 -2.161 562 H LEU 71 H LEU 71 1.408 1.401 -5.368 563 HA LEU 71 HA LEU 71 -0.141 3.411 -4.002 564 1HB LEU 71 2HB LEU 71 2.421 3.310 -4.968 565 2HB LEU 71 1HB LEU 71 1.618 4.267 -6.207 566 HG LEU 71 HG LEU 71 1.669 6.084 -4.881 567 1HD1 LEU 71 3HD1 LEU 71 -0.433 5.281 -3.798 568 2HD1 LEU 71 2HD1 LEU 71 0.555 4.445 -2.594 569 3HD1 LEU 71 1HD1 LEU 71 0.594 6.206 -2.697 570 1HD2 LEU 71 1HD2 LEU 71 3.198 4.103 -3.260 571 2HD2 LEU 71 3HD2 LEU 71 3.776 5.535 -4.109 572 3HD2 LEU 71 2HD2 LEU 71 2.900 5.705 -2.588 573 H GLN 72 H GLN 72 0.389 2.569 -7.444 574 HA GLN 72 HA GLN 72 -1.422 4.396 -8.557 575 1HB GLN 72 2HB GLN 72 -0.418 1.720 -9.324 576 2HB GLN 72 1HB GLN 72 -1.943 2.191 -10.076 577 1HG GLN 72 2HG GLN 72 -0.838 4.391 -10.690 578 2HG GLN 72 1HG GLN 72 0.690 3.681 -10.167 579 1HE2 GLN 72 2HE2 GLN 72 -0.142 1.013 -12.844 580 2HE2 GLN 72 1HE2 GLN 72 -0.385 0.949 -11.165 581 H VAL 73 H VAL 73 -2.023 1.607 -6.632 582 HA VAL 73 HA VAL 73 -4.906 1.568 -7.216 583 HB VAL 73 HB VAL 73 -3.236 -0.042 -5.268 584 1HG1 VAL 73 2HG1 VAL 73 -5.727 0.267 -4.744 585 2HG1 VAL 73 1HG1 VAL 73 -6.030 -0.607 -6.244 586 3HG1 VAL 73 3HG1 VAL 73 -5.163 -1.395 -4.929 587 1HG2 VAL 73 1HG2 VAL 73 -3.558 -0.111 -8.090 588 2HG2 VAL 73 3HG2 VAL 73 -2.732 -1.293 -7.074 589 3HG2 VAL 73 2HG2 VAL 73 -4.450 -1.490 -7.437 590 H PHE 74 H PHE 74 -2.819 2.343 -4.413 591 HA PHE 74 HA PHE 74 -4.828 2.976 -2.583 592 1HB PHE 74 2HB PHE 74 -1.978 3.670 -2.984 593 2HB PHE 74 1HB PHE 74 -2.899 4.804 -2.013 594 HD1 PHE 74 HD2 PHE 74 -4.597 3.582 -0.280 595 HD2 PHE 74 HD1 PHE 74 -0.962 1.920 -1.854 596 HE1 PHE 74 HE2 PHE 74 -4.507 1.966 1.593 597 HE2 PHE 74 HE1 PHE 74 -0.891 0.306 0.026 598 HZ PHE 74 HZ PHE 74 -2.678 0.339 1.738 599 H ARG 75 H ARG 75 -3.045 5.069 -4.804 600 HA ARG 75 HA ARG 75 -4.666 7.390 -4.493 601 1HB ARG 75 2HB ARG 75 -2.921 6.444 -6.783 602 2HB ARG 75 1HB ARG 75 -3.686 8.030 -6.730 603 1HG ARG 75 2HG ARG 75 -2.486 8.600 -4.694 604 2HG ARG 75 1HG ARG 75 -1.823 6.969 -4.589 605 1HD ARG 75 2HD ARG 75 -1.107 9.182 -6.476 606 2HD ARG 75 1HD ARG 75 -0.051 8.077 -5.596 607 HE ARG 75 HE ARG 75 -0.728 6.312 -7.232 608 1HH1 ARG 75 2HH1 ARG 75 -2.892 6.874 -8.772 609 2HH1 ARG 75 1HH1 ARG 75 -2.357 7.848 -10.101 610 1HH2 ARG 75 1HH2 ARG 75 0.622 8.758 -8.576 611 2HH2 ARG 75 2HH2 ARG 75 -0.366 8.914 -9.990 612 H GLU 76 H GLU 76 -4.785 4.682 -6.880 613 HA GLU 76 HA GLU 76 -6.873 5.675 -8.494 614 1HB GLU 76 2HB GLU 76 -5.830 3.017 -7.775 615 2HB GLU 76 1HB GLU 76 -7.514 3.021 -8.294 616 1HG GLU 76 2HG GLU 76 -6.996 3.913 -10.395 617 2HG GLU 76 1HG GLU 76 -5.428 4.515 -9.854 618 H ALA 77 H ALA 77 -6.942 4.434 -5.244 619 HA ALA 77 HA ALA 77 -9.859 4.159 -5.159 620 1HB ALA 77 3HB ALA 77 -7.857 3.071 -3.674 621 2HB ALA 77 2HB ALA 77 -8.309 4.424 -2.639 622 3HB ALA 77 1HB ALA 77 -9.516 3.222 -3.090 623 H LYS 78 H LYS 78 -7.461 6.413 -3.731 624 HA LYS 78 HA LYS 78 -9.400 8.195 -2.644 625 1HB LYS 78 2HB LYS 78 -7.574 9.576 -2.194 626 2HB LYS 78 1HB LYS 78 -6.808 7.998 -2.293 627 1HG LYS 78 2HG LYS 78 -5.425 8.949 -3.811 628 2HG LYS 78 1HG LYS 78 -6.789 8.852 -4.925 629 1HD LYS 78 2HD LYS 78 -6.035 11.131 -4.961 630 2HD LYS 78 1HD LYS 78 -7.535 11.109 -4.031 631 1HE LYS 78 2HE LYS 78 -5.582 10.592 -2.121 632 2HE LYS 78 1HE LYS 78 -4.827 11.797 -3.165 633 1HZ LYS 78 2HZ LYS 78 -6.821 13.168 -2.928 634 2HZ LYS 78 1HZ LYS 78 -7.490 12.021 -1.868 635 3HZ LYS 78 3HZ LYS 78 -6.087 12.865 -1.426 636 H ALA 79 H ALA 79 -8.600 7.471 -5.852 637 HA ALA 79 HA ALA 79 -9.324 10.118 -6.946 638 1HB ALA 79 2HB ALA 79 -7.666 8.054 -7.811 639 2HB ALA 79 1HB ALA 79 -9.103 7.882 -8.825 640 3HB ALA 79 3HB ALA 79 -8.216 9.410 -8.798 641 H GLU 80 H GLU 80 -10.276 6.828 -7.831 642 HA GLU 80 HA GLU 80 -12.691 7.399 -9.059 643 1HB GLU 80 2HB GLU 80 -12.233 4.982 -7.302 644 2HB GLU 80 1HB GLU 80 -13.248 5.100 -8.738 645 1HG GLU 80 2HG GLU 80 -10.598 5.942 -9.427 646 2HG GLU 80 1HG GLU 80 -10.506 4.377 -8.616 647 H GLY 81 H GLY 81 -12.385 6.388 -5.606 648 1HA GLY 81 2HA GLY 81 -14.427 8.334 -4.844 649 2HA GLY 81 1HA GLY 81 -15.039 6.677 -4.842 650 H ALA 82 H ALA 82 -12.507 5.494 -3.991 651 HA ALA 82 HA ALA 82 -12.779 5.217 -1.293 652 1HB ALA 82 2HB ALA 82 -10.799 4.589 -3.134 653 2HB ALA 82 1HB ALA 82 -9.949 5.564 -1.929 654 3HB ALA 82 3HB ALA 82 -10.820 4.110 -1.441 655 H ASP 83 H ASP 83 -11.961 6.246 0.591 656 HA ASP 83 HA ASP 83 -11.334 9.142 0.210 657 1HB ASP 83 2HB ASP 83 -12.785 7.592 2.330 658 2HB ASP 83 1HB ASP 83 -11.942 9.071 2.795 659 H ILE 84 H ILE 84 -9.148 7.893 -0.281 660 HA ILE 84 HA ILE 84 -7.689 7.458 2.282 661 HB ILE 84 HB ILE 84 -7.065 6.577 -0.546 662 1HG1 ILE 84 2HG1 ILE 84 -7.406 4.671 1.674 663 2HG1 ILE 84 1HG1 ILE 84 -8.866 5.536 1.194 664 1HG2 ILE 84 3HG2 ILE 84 -5.117 7.148 1.122 665 2HG2 ILE 84 2HG2 ILE 84 -5.636 5.675 1.946 666 3HG2 ILE 84 1HG2 ILE 84 -5.085 5.602 0.270 667 1HD1 ILE 84 3HD1 ILE 84 -7.291 4.617 -1.090 668 2HD1 ILE 84 2HD1 ILE 84 -7.838 3.293 -0.061 669 3HD1 ILE 84 1HD1 ILE 84 -9.010 4.415 -0.755 670 H THR 85 H THR 85 -5.720 8.524 2.624 671 HA THR 85 HA THR 85 -5.211 10.868 0.851 672 HB THR 85 HB THR 85 -4.237 10.501 3.698 673 HG1 THR 85 HG1 THR 85 -6.029 11.640 4.335 674 1HG2 THR 85 1HG2 THR 85 -4.072 12.574 1.617 675 2HG2 THR 85 3HG2 THR 85 -4.586 13.180 3.191 676 3HG2 THR 85 2HG2 THR 85 -3.055 12.318 3.034 677 H ILE 86 H ILE 86 -3.737 10.031 -0.605 678 HA ILE 86 HA ILE 86 -1.632 8.220 0.294 679 HB ILE 86 HB ILE 86 -2.725 9.168 -2.270 680 1HG1 ILE 86 2HG1 ILE 86 -2.460 6.880 -2.866 681 2HG1 ILE 86 1HG1 ILE 86 -1.220 6.625 -1.644 682 1HG2 ILE 86 2HG2 ILE 86 0.232 8.535 -2.019 683 2HG2 ILE 86 1HG2 ILE 86 -0.653 8.607 -3.542 684 3HG2 ILE 86 3HG2 ILE 86 -0.468 10.061 -2.559 685 1HD1 ILE 86 2HD1 ILE 86 -3.522 7.545 -0.260 686 2HD1 ILE 86 1HD1 ILE 86 -4.076 6.331 -1.409 687 3HD1 ILE 86 3HD1 ILE 86 -2.828 5.921 -0.233 688 H ILE 87 H ILE 87 0.163 8.935 1.258 689 HA ILE 87 HA ILE 87 1.007 11.755 0.777 690 HB ILE 87 HB ILE 87 2.139 9.861 2.842 691 1HG1 ILE 87 2HG1 ILE 87 -0.366 11.555 2.906 692 2HG1 ILE 87 1HG1 ILE 87 -0.183 9.858 3.350 693 1HG2 ILE 87 3HG2 ILE 87 1.985 12.879 2.573 694 2HG2 ILE 87 2HG2 ILE 87 2.605 12.039 3.995 695 3HG2 ILE 87 1HG2 ILE 87 3.435 11.884 2.446 696 1HD1 ILE 87 1HD1 ILE 87 1.249 10.530 5.263 697 2HD1 ILE 87 3HD1 ILE 87 1.005 12.222 4.833 698 3HD1 ILE 87 2HD1 ILE 87 -0.360 11.242 5.369 699 H LEU 88 H LEU 88 2.913 12.226 -0.251 700 HA LEU 88 HA LEU 88 5.154 10.440 -0.416 701 1HB LEU 88 2HB LEU 88 3.093 10.301 -2.565 702 2HB LEU 88 1HB LEU 88 4.782 10.296 -3.071 703 HG LEU 88 HG LEU 88 4.580 8.540 -0.847 704 1HD1 LEU 88 2HD1 LEU 88 2.084 8.659 -1.682 705 2HD1 LEU 88 1HD1 LEU 88 2.680 7.636 -2.990 706 3HD1 LEU 88 3HD1 LEU 88 2.810 7.093 -1.317 707 1HD2 LEU 88 3HD2 LEU 88 5.169 8.386 -3.777 708 2HD2 LEU 88 2HD2 LEU 88 6.201 7.984 -2.404 709 3HD2 LEU 88 1HD2 LEU 88 4.925 6.874 -2.903 710 H SER 89 HN SER 89 5.284 12.982 0.286 711 HA SER 89 HA SER 89 5.465 14.924 -1.810 712 1HB SER 89 2HB SER 89 5.885 14.851 1.003 713 2HB SER 89 1HB SER 89 7.354 15.504 0.275 714 HG SER 89 HG SER 89 4.925 16.640 0.564 No H/Q in entry = 714 Start of MODEL 12 1 1H LYS 1 1H LYS 1 -8.453 5.176 8.342 2 2H LYS 1 3H LYS 1 -8.470 3.747 7.430 3 3H LYS 1 2H LYS 1 -9.345 3.836 8.883 4 HA LYS 1 HA LYS 1 -7.474 3.719 10.203 5 1HB LYS 1 2HB LYS 1 -6.657 2.139 7.751 6 2HB LYS 1 1HB LYS 1 -6.269 1.780 9.433 7 1HG LYS 1 2HG LYS 1 -8.532 1.221 9.941 8 2HG LYS 1 1HG LYS 1 -9.117 1.913 8.427 9 1HD LYS 1 2HD LYS 1 -8.732 -0.007 7.311 10 2HD LYS 1 1HD LYS 1 -7.088 -0.112 7.941 11 1HE LYS 1 2HE LYS 1 -7.916 -1.954 9.014 12 2HE LYS 1 1HE LYS 1 -8.481 -0.753 10.176 13 1HZ LYS 1 1HZ LYS 1 -10.585 -0.651 8.992 14 2HZ LYS 1 3HZ LYS 1 -10.042 -1.813 7.882 15 3HZ LYS 1 2HZ LYS 1 -10.263 -2.236 9.513 16 H LYS 2 H LYS 2 -4.842 3.272 9.740 17 HA LYS 2 HA LYS 2 -3.866 5.519 8.048 18 1HB LYS 2 2HB LYS 2 -4.048 6.465 10.279 19 2HB LYS 2 1HB LYS 2 -3.189 5.088 10.971 20 1HG LYS 2 2HG LYS 2 -1.457 5.929 9.003 21 2HG LYS 2 1HG LYS 2 -2.133 7.451 9.581 22 1HD LYS 2 2HD LYS 2 -1.392 7.081 11.791 23 2HD LYS 2 1HD LYS 2 -1.146 5.356 11.509 24 1HE LYS 2 2HE LYS 2 0.523 6.312 9.644 25 2HE LYS 2 1HE LYS 2 0.591 7.660 10.777 26 1HZ LYS 2 2HZ LYS 2 1.038 4.815 11.501 27 2HZ LYS 2 1HZ LYS 2 2.273 5.952 11.237 28 3HZ LYS 2 3HZ LYS 2 1.197 6.156 12.532 29 H ALA 3 H ALA 3 -2.871 4.114 6.599 30 HA ALA 3 HA ALA 3 -1.106 1.983 7.621 31 1HB ALA 3 3HB ALA 3 -2.364 2.675 5.048 32 2HB ALA 3 2HB ALA 3 -0.712 2.076 4.899 33 3HB ALA 3 1HB ALA 3 -1.937 1.093 5.701 34 H VAL 4 H VAL 4 1.164 1.981 7.277 35 HA VAL 4 HA VAL 4 2.321 4.574 6.364 36 HB VAL 4 HB VAL 4 3.371 2.978 8.713 37 1HG1 VAL 4 3HG1 VAL 4 4.269 5.283 7.171 38 2HG1 VAL 4 2HG1 VAL 4 4.111 5.665 8.886 39 3HG1 VAL 4 1HG1 VAL 4 5.144 4.331 8.371 40 1HG2 VAL 4 3HG2 VAL 4 1.023 4.553 8.608 41 2HG2 VAL 4 2HG2 VAL 4 1.841 3.950 10.049 42 3HG2 VAL 4 1HG2 VAL 4 2.243 5.543 9.409 43 H ILE 5 H ILE 5 3.802 4.264 4.815 44 HA ILE 5 HA ILE 5 4.867 1.533 4.359 45 HB ILE 5 HB ILE 5 5.238 3.964 2.603 46 1HG1 ILE 5 2HG1 ILE 5 2.768 3.297 3.289 47 2HG1 ILE 5 1HG1 ILE 5 3.148 3.677 1.622 48 1HG2 ILE 5 2HG2 ILE 5 5.874 1.120 2.461 49 2HG2 ILE 5 1HG2 ILE 5 4.959 1.667 1.058 50 3HG2 ILE 5 3HG2 ILE 5 6.477 2.458 1.481 51 1HD1 ILE 5 1HD1 ILE 5 3.489 1.219 1.211 52 2HD1 ILE 5 3HD1 ILE 5 2.890 0.924 2.843 53 3HD1 ILE 5 2HD1 ILE 5 1.836 1.659 1.634 54 H ASN 6 H ASN 6 6.955 1.088 4.933 55 HA ASN 6 HA ASN 6 8.705 3.429 5.539 56 1HB ASN 6 2HB ASN 6 9.236 0.742 6.743 57 2HB ASN 6 1HB ASN 6 9.553 2.345 7.403 58 1HD2 ASN 6 2HD2 ASN 6 6.705 2.004 9.418 59 2HD2 ASN 6 1HD2 ASN 6 8.361 2.357 9.307 60 H GLY 7 H GLY 7 10.128 3.619 3.877 61 1HA GLY 7 2HA GLY 7 10.913 1.280 2.312 62 2HA GLY 7 1HA GLY 7 11.471 2.938 2.051 63 H GLU 8 H GLU 8 11.849 2.471 5.269 64 HA GLU 8 HA GLU 8 14.690 1.683 4.902 65 1HB GLU 8 2HB GLU 8 14.183 3.896 5.979 66 2HB GLU 8 1HB GLU 8 13.403 3.019 7.296 67 1HG GLU 8 2HG GLU 8 15.554 3.272 8.149 68 2HG GLU 8 1HG GLU 8 15.685 1.697 7.365 69 H GLN 9 H GLN 9 11.726 0.551 6.082 70 HA GLN 9 HA GLN 9 13.113 -1.532 7.716 71 1HB GLN 9 2HB GLN 9 11.399 -0.002 8.869 72 2HB GLN 9 1HB GLN 9 10.180 -0.829 7.897 73 1HG GLN 9 2HG GLN 9 11.002 -3.010 8.814 74 2HG GLN 9 1HG GLN 9 12.086 -2.111 9.875 75 1HE2 GLN 9 2HE2 GLN 9 9.291 -0.709 11.780 76 2HE2 GLN 9 1HE2 GLN 9 10.748 -0.194 11.077 77 H ILE 10 H ILE 10 11.135 -0.872 5.004 78 HA ILE 10 HA ILE 10 10.101 -3.580 4.704 79 HB ILE 10 HB ILE 10 10.309 -1.278 2.740 80 1HG1 ILE 10 2HG1 ILE 10 8.778 -1.130 4.814 81 2HG1 ILE 10 1HG1 ILE 10 8.020 -0.860 3.246 82 1HG2 ILE 10 1HG2 ILE 10 9.653 -4.105 2.392 83 2HG2 ILE 10 3HG2 ILE 10 8.327 -3.049 1.894 84 3HG2 ILE 10 2HG2 ILE 10 9.925 -2.860 1.171 85 1HD1 ILE 10 1HD1 ILE 10 7.400 -3.317 3.241 86 2HD1 ILE 10 3HD1 ILE 10 7.949 -3.384 4.914 87 3HD1 ILE 10 2HD1 ILE 10 6.590 -2.353 4.473 88 H ARG 11 H ARG 11 11.851 -4.971 4.719 89 HA ARG 11 HA ARG 11 14.349 -4.615 3.444 90 1HB ARG 11 2HB ARG 11 13.307 -7.378 3.284 91 2HB ARG 11 1HB ARG 11 14.789 -6.775 4.029 92 1HG ARG 11 2HG ARG 11 13.316 -5.827 5.882 93 2HG ARG 11 1HG ARG 11 11.999 -6.777 5.185 94 1HD ARG 11 2HD ARG 11 13.214 -8.840 5.536 95 2HD ARG 11 1HD ARG 11 14.660 -7.960 6.031 96 HE ARG 11 HE ARG 11 12.603 -7.162 7.785 97 1HH1 ARG 11 1HH2 ARG 11 14.977 -9.530 7.268 98 2HH1 ARG 11 2HH2 ARG 11 14.514 -10.516 8.615 99 1HH2 ARG 11 2HH1 ARG 11 11.690 -8.644 9.356 100 2HH2 ARG 11 1HH1 ARG 11 12.653 -10.015 9.796 101 H SER 12 H SER 12 11.393 -6.150 2.192 102 HA SER 12 HA SER 12 12.249 -5.381 -0.543 103 1HB SER 12 2HB SER 12 12.557 -8.019 0.448 104 2HB SER 12 1HB SER 12 11.178 -8.053 -0.649 105 HG SER 12 HG SER 12 12.744 -6.674 -1.996 106 H ILE 13 H ILE 13 10.421 -5.800 -2.128 107 HA ILE 13 HA ILE 13 8.060 -4.530 -1.460 108 HB ILE 13 HB ILE 13 8.731 -5.236 -3.751 109 1HG1 ILE 13 2HG1 ILE 13 6.298 -4.641 -2.970 110 2HG1 ILE 13 1HG1 ILE 13 6.541 -5.326 -4.572 111 1HG2 ILE 13 1HG2 ILE 13 7.893 -7.937 -2.696 112 2HG2 ILE 13 3HG2 ILE 13 8.014 -7.582 -4.418 113 3HG2 ILE 13 2HG2 ILE 13 9.446 -7.480 -3.394 114 1HD1 ILE 13 3HD1 ILE 13 6.137 -7.619 -3.431 115 2HD1 ILE 13 2HD1 ILE 13 5.484 -6.673 -2.099 116 3HD1 ILE 13 1HD1 ILE 13 4.752 -6.569 -3.694 117 H SER 14 H SER 14 8.912 -7.895 -0.847 118 HA SER 14 HA SER 14 6.403 -8.959 -0.170 119 1HB SER 14 2HB SER 14 9.202 -9.479 0.728 120 2HB SER 14 1HB SER 14 7.895 -10.190 1.670 121 HG SER 14 HG SER 14 7.110 -10.786 -0.593 122 H ASP 15 H ASP 15 8.695 -7.323 2.065 123 HA ASP 15 HA ASP 15 6.906 -7.322 4.284 124 1HB ASP 15 2HB ASP 15 9.493 -6.150 3.581 125 2HB ASP 15 1HB ASP 15 8.541 -5.124 4.646 126 H LEU 16 H LEU 16 7.056 -5.402 1.456 127 HA LEU 16 HA LEU 16 5.760 -3.015 2.413 128 1HB LEU 16 2HB LEU 16 6.951 -3.220 0.218 129 2HB LEU 16 1HB LEU 16 5.641 -4.245 -0.354 130 HG LEU 16 HG LEU 16 4.286 -2.471 -0.753 131 1HD1 LEU 16 1HD1 LEU 16 5.284 -1.307 1.864 132 2HD1 LEU 16 3HD1 LEU 16 4.126 -0.490 0.814 133 3HD1 LEU 16 2HD1 LEU 16 3.709 -2.037 1.551 134 1HD2 LEU 16 1HD2 LEU 16 6.670 -1.787 -1.482 135 2HD2 LEU 16 3HD2 LEU 16 5.435 -0.530 -1.409 136 3HD2 LEU 16 2HD2 LEU 16 6.615 -0.688 -0.106 137 H HIS 17 H HIS 17 4.461 -5.694 0.467 138 HA HIS 17 HA HIS 17 1.731 -5.005 0.868 139 1HB HIS 17 2HB HIS 17 3.014 -7.664 0.201 140 2HB HIS 17 1HB HIS 17 1.278 -7.340 0.096 141 HD1 HIS 17 HD1 HIS 17 0.676 -6.886 -2.287 142 HD2 HIS 17 HD2 HIS 17 4.371 -5.228 -1.308 143 HE1 HIS 17 HE1 HIS 17 1.491 -5.658 -4.352 144 H GLN 18 H GLN 18 4.006 -6.454 2.947 145 HA GLN 18 HA GLN 18 2.021 -7.787 4.645 146 1HB GLN 18 2HB GLN 18 4.968 -7.174 4.998 147 2HB GLN 18 1HB GLN 18 3.999 -7.971 6.239 148 1HG GLN 18 2HG GLN 18 3.345 -9.666 4.436 149 2HG GLN 18 1HG GLN 18 4.637 -8.970 3.458 150 1HE2 GLN 18 2HE2 GLN 18 7.220 -10.552 5.279 151 2HE2 GLN 18 1HE2 GLN 18 6.816 -9.500 4.010 152 H THR 19 H THR 19 3.712 -4.787 4.414 153 HA THR 19 HA THR 19 2.927 -3.720 6.982 154 HB THR 19 HB THR 19 4.114 -2.592 4.462 155 HG1 THR 19 HG1 THR 19 5.319 -3.597 6.213 156 1HG2 THR 19 3HG2 THR 19 2.483 -1.115 6.393 157 2HG2 THR 19 2HG2 THR 19 4.118 -0.471 6.244 158 3HG2 THR 19 1HG2 THR 19 3.092 -0.610 4.816 159 H LEU 20 H LEU 20 1.578 -3.809 3.788 160 HA LEU 20 HA LEU 20 -0.613 -1.948 4.435 161 1HB LEU 20 2HB LEU 20 -0.836 -3.863 2.143 162 2HB LEU 20 1HB LEU 20 -1.305 -2.164 2.229 163 HG LEU 20 HG LEU 20 1.546 -3.135 2.193 164 1HD1 LEU 20 3HD1 LEU 20 -0.276 -2.207 -0.007 165 2HD1 LEU 20 2HD1 LEU 20 1.480 -2.110 -0.147 166 3HD1 LEU 20 1HD1 LEU 20 0.696 -3.676 0.058 167 1HD2 LEU 20 2HD2 LEU 20 1.183 -0.943 3.274 168 2HD2 LEU 20 1HD2 LEU 20 2.044 -0.761 1.746 169 3HD2 LEU 20 3HD2 LEU 20 0.323 -0.390 1.836 170 H LYS 21 H LYS 21 0.028 -5.370 4.296 171 HA LYS 21 HA LYS 21 -2.701 -6.229 4.769 172 1HB LYS 21 2HB LYS 21 -1.211 -7.841 3.823 173 2HB LYS 21 1HB LYS 21 -0.009 -7.573 5.089 174 1HG LYS 21 2HG LYS 21 -1.158 -8.838 6.632 175 2HG LYS 21 1HG LYS 21 -2.732 -8.416 5.955 176 1HD LYS 21 2HD LYS 21 -2.637 -10.070 4.336 177 2HD LYS 21 1HD LYS 21 -0.874 -10.072 4.294 178 1HE LYS 21 2HE LYS 21 -2.148 -12.068 5.441 179 2HE LYS 21 1HE LYS 21 -0.694 -11.412 6.193 180 1HZ LYS 21 3HZ LYS 21 -3.201 -10.120 6.893 181 2HZ LYS 21 2HZ LYS 21 -2.991 -11.700 7.480 182 3HZ LYS 21 1HZ LYS 21 -1.863 -10.490 7.865 183 H LYS 22 H LYS 22 -0.099 -5.045 6.725 184 HA LYS 22 HA LYS 22 -1.242 -6.048 9.241 185 1HB LYS 22 2HB LYS 22 1.100 -5.910 9.340 186 2HB LYS 22 1HB LYS 22 1.143 -4.372 8.481 187 1HG LYS 22 2HG LYS 22 0.134 -3.248 10.430 188 2HG LYS 22 1HG LYS 22 0.085 -4.786 11.295 189 1HD LYS 22 2HD LYS 22 2.739 -4.342 10.248 190 2HD LYS 22 1HD LYS 22 2.232 -2.946 11.201 191 1HE LYS 22 2HE LYS 22 1.368 -5.172 12.673 192 2HE LYS 22 1HE LYS 22 2.981 -5.602 12.105 193 1HZ LYS 22 3HZ LYS 22 2.272 -3.077 13.499 194 2HZ LYS 22 2HZ LYS 22 3.042 -4.410 14.217 195 3HZ LYS 22 1HZ LYS 22 3.825 -3.533 12.990 196 H GLU 23 H GLU 23 -0.893 -2.887 7.596 197 HA GLU 23 HA GLU 23 -2.375 -1.493 9.675 198 1HB GLU 23 2HB GLU 23 -1.880 -0.523 6.860 199 2HB GLU 23 1HB GLU 23 -2.151 0.452 8.305 200 1HG GLU 23 2HG GLU 23 0.157 -1.459 8.276 201 2HG GLU 23 1HG GLU 23 0.306 0.061 7.394 202 H LEU 24 H LEU 24 -3.084 -2.251 6.314 203 HA LEU 24 HA LEU 24 -5.830 -1.501 6.381 204 1HB LEU 24 2HB LEU 24 -4.652 -3.680 4.639 205 2HB LEU 24 1HB LEU 24 -6.034 -2.645 4.282 206 HG LEU 24 HG LEU 24 -3.307 -1.454 4.774 207 1HD1 LEU 24 1HD1 LEU 24 -4.394 -2.691 2.249 208 2HD1 LEU 24 3HD1 LEU 24 -3.171 -1.420 2.209 209 3HD1 LEU 24 2HD1 LEU 24 -2.824 -2.953 3.011 210 1HD2 LEU 24 2HD2 LEU 24 -5.586 -0.189 4.666 211 2HD2 LEU 24 1HD2 LEU 24 -4.213 0.451 3.766 212 3HD2 LEU 24 3HD2 LEU 24 -5.465 -0.468 2.928 213 H ALA 25 H ALA 25 -4.119 -4.384 7.369 214 HA ALA 25 HA ALA 25 -4.889 -6.152 8.723 215 1HB ALA 25 1HB ALA 25 -6.742 -4.107 9.166 216 2HB ALA 25 3HB ALA 25 -7.726 -5.501 8.721 217 3HB ALA 25 2HB ALA 25 -6.608 -5.610 10.081 218 H LEU 26 H LEU 26 -4.555 -6.665 6.091 219 HA LEU 26 HA LEU 26 -7.005 -7.714 4.883 220 1HB LEU 26 2HB LEU 26 -4.182 -8.362 4.006 221 2HB LEU 26 1HB LEU 26 -5.646 -8.294 3.024 222 HG LEU 26 HG LEU 26 -4.487 -5.879 4.430 223 1HD1 LEU 26 1HD1 LEU 26 -3.323 -7.198 2.301 224 2HD1 LEU 26 3HD1 LEU 26 -4.332 -5.993 1.502 225 3HD1 LEU 26 2HD1 LEU 26 -3.114 -5.487 2.673 226 1HD2 LEU 26 3HD2 LEU 26 -6.998 -6.379 3.293 227 2HD2 LEU 26 2HD2 LEU 26 -6.317 -4.795 3.673 228 3HD2 LEU 26 1HD2 LEU 26 -6.123 -5.473 2.056 229 HA PRO 27 HA PRO 27 -6.816 -11.770 6.519 230 1HB PRO 27 2HB PRO 27 -7.715 -13.245 4.384 231 2HB PRO 27 1HB PRO 27 -8.762 -12.205 5.368 232 1HG PRO 27 2HG PRO 27 -7.710 -11.745 2.620 233 2HG PRO 27 1HG PRO 27 -9.182 -11.112 3.376 234 1HD PRO 27 2HD PRO 27 -6.753 -9.706 3.006 235 2HD PRO 27 1HD PRO 27 -8.111 -9.193 4.030 236 H GLU 28 H GLU 28 -6.255 -14.193 5.409 237 HA GLU 28 HA GLU 28 -3.356 -14.070 5.058 238 1HB GLU 28 2HB GLU 28 -4.350 -15.860 6.401 239 2HB GLU 28 1HB GLU 28 -5.293 -16.403 5.010 240 1HG GLU 28 2HG GLU 28 -3.550 -17.786 4.584 241 2HG GLU 28 1HG GLU 28 -2.722 -16.340 4.003 242 H TYR 29 H TYR 29 -6.085 -15.270 3.079 243 HA TYR 29 HA TYR 29 -4.516 -15.968 0.813 244 1HB TYR 29 2HB TYR 29 -6.639 -15.875 -0.446 245 2HB TYR 29 1HB TYR 29 -6.842 -16.712 1.096 246 HD1 TYR 29 HD2 TYR 29 -7.058 -13.253 -0.364 247 HD2 TYR 29 HD1 TYR 29 -8.574 -16.068 2.509 248 HE1 TYR 29 HE2 TYR 29 -8.830 -11.644 0.278 249 HE2 TYR 29 HE1 TYR 29 -10.346 -14.454 3.151 250 HH TYR 29 HH TYR 29 -11.368 -12.069 1.437 251 H TYR 30 H TYR 30 -5.224 -12.912 2.077 252 HA TYR 30 HA TYR 30 -5.628 -11.122 0.070 253 1HB TYR 30 2HB TYR 30 -5.122 -10.174 2.169 254 2HB TYR 30 1HB TYR 30 -3.601 -11.056 2.303 255 HD1 TYR 30 HD1 TYR 30 -5.165 -8.822 -0.284 256 HD2 TYR 30 HD2 TYR 30 -1.738 -9.673 2.160 257 HE1 TYR 30 HE1 TYR 30 -3.960 -6.913 -1.309 258 HE2 TYR 30 HE2 TYR 30 -0.530 -7.766 1.132 259 HH TYR 30 HH TYR 30 -1.529 -6.262 -1.680 260 H GLY 31 H GLY 31 -4.706 -10.615 -1.859 261 1HA GLY 31 2HA GLY 31 -2.338 -12.135 -2.718 262 2HA GLY 31 1HA GLY 31 -3.315 -11.070 -3.738 263 H GLU 32 H GLU 32 -0.321 -11.258 -3.086 264 HA GLU 32 HA GLU 32 0.188 -8.644 -1.841 265 1HB GLU 32 2HB GLU 32 2.474 -9.255 -1.873 266 2HB GLU 32 1HB GLU 32 1.619 -10.769 -1.575 267 1HG GLU 32 2HG GLU 32 1.660 -10.716 -4.311 268 2HG GLU 32 1HG GLU 32 3.195 -9.934 -3.929 269 H ASN 33 H ASN 33 -1.362 -8.253 -4.054 270 HA ASN 33 HA ASN 33 0.529 -6.838 -5.847 271 1HB ASN 33 2HB ASN 33 -1.206 -7.635 -7.721 272 2HB ASN 33 1HB ASN 33 0.210 -8.600 -7.305 273 1HD2 ASN 33 2HD2 ASN 33 -3.220 -9.842 -5.416 274 2HD2 ASN 33 1HD2 ASN 33 -2.792 -8.200 -5.376 275 H LEU 34 H LEU 34 -1.025 -5.541 -7.507 276 HA LEU 34 HA LEU 34 -2.650 -3.864 -5.744 277 1HB LEU 34 2HB LEU 34 -3.128 -2.743 -8.126 278 2HB LEU 34 1HB LEU 34 -1.636 -2.450 -7.239 279 HG LEU 34 HG LEU 34 -0.473 -4.145 -8.540 280 1HD1 LEU 34 3HD1 LEU 34 -3.246 -4.848 -9.295 281 2HD1 LEU 34 2HD1 LEU 34 -2.079 -4.900 -10.615 282 3HD1 LEU 34 1HD1 LEU 34 -1.820 -5.877 -9.169 283 1HD2 LEU 34 1HD2 LEU 34 -0.984 -1.757 -9.439 284 2HD2 LEU 34 3HD2 LEU 34 -0.346 -2.957 -10.562 285 3HD2 LEU 34 2HD2 LEU 34 -2.070 -2.583 -10.558 286 H ASP 35 H ASP 35 -3.289 -6.661 -7.476 287 HA ASP 35 HA ASP 35 -6.006 -5.932 -8.292 288 1HB ASP 35 2HB ASP 35 -5.966 -8.677 -8.226 289 2HB ASP 35 1HB ASP 35 -5.600 -7.698 -9.640 290 H ALA 36 H ALA 36 -4.611 -8.142 -5.835 291 HA ALA 36 HA ALA 36 -7.185 -8.459 -4.520 292 1HB ALA 36 2HB ALA 36 -5.233 -10.129 -4.461 293 2HB ALA 36 1HB ALA 36 -4.482 -9.038 -3.297 294 3HB ALA 36 3HB ALA 36 -6.027 -9.805 -2.919 295 H LEU 37 H LEU 37 -4.376 -6.452 -4.177 296 HA LEU 37 HA LEU 37 -5.046 -5.283 -1.631 297 1HB LEU 37 2HB LEU 37 -2.793 -5.072 -2.525 298 2HB LEU 37 1HB LEU 37 -3.408 -4.220 -3.940 299 HG LEU 37 HG LEU 37 -4.429 -2.871 -1.659 300 1HD1 LEU 37 2HD1 LEU 37 -1.784 -4.036 -1.231 301 2HD1 LEU 37 1HD1 LEU 37 -1.758 -2.275 -1.127 302 3HD1 LEU 37 3HD1 LEU 37 -2.838 -3.203 -0.087 303 1HD2 LEU 37 1HD2 LEU 37 -3.517 -2.211 -4.096 304 2HD2 LEU 37 3HD2 LEU 37 -3.612 -1.034 -2.787 305 3HD2 LEU 37 2HD2 LEU 37 -2.075 -1.814 -3.159 306 H TRP 38 H TRP 38 -5.479 -4.118 -4.990 307 HA TRP 38 HA TRP 38 -7.031 -1.819 -4.315 308 1HB TRP 38 2HB TRP 38 -6.200 -2.068 -6.583 309 2HB TRP 38 1HB TRP 38 -6.990 -3.629 -6.736 310 HD1 TRP 38 HD1 TRP 38 -9.204 -3.665 -7.837 311 HE1 TRP 38 HE1 TRP 38 -11.011 -1.947 -8.486 312 HE3 TRP 38 HE3 TRP 38 -7.282 0.540 -5.641 313 HZ2 TRP 38 HZ2 TRP 38 -11.558 0.830 -8.135 314 HZ3 TRP 38 HZ3 TRP 38 -8.462 2.697 -5.831 315 HH2 TRP 38 HH2 TRP 38 -10.601 2.850 -7.070 316 H ASP 39 H ASP 39 -7.835 -5.157 -4.958 317 HA ASP 39 HA ASP 39 -10.657 -4.968 -4.748 318 1HB ASP 39 2HB ASP 39 -8.648 -7.098 -4.600 319 2HB ASP 39 1HB ASP 39 -10.063 -7.409 -3.588 320 H ALA 40 H ALA 40 -8.135 -5.029 -2.334 321 HA ALA 40 HA ALA 40 -10.039 -5.296 -0.110 322 1HB ALA 40 3HB ALA 40 -7.536 -6.016 -0.131 323 2HB ALA 40 2HB ALA 40 -7.209 -4.312 0.196 324 3HB ALA 40 1HB ALA 40 -8.184 -5.257 1.325 325 H LEU 41 H LEU 41 -7.653 -2.727 -0.803 326 HA LEU 41 HA LEU 41 -8.517 -0.653 0.693 327 1HB LEU 41 2HB LEU 41 -7.528 -0.738 -2.114 328 2HB LEU 41 1HB LEU 41 -8.189 0.789 -1.531 329 HG LEU 41 HG LEU 41 -6.274 -0.624 0.262 330 1HD1 LEU 41 2HD1 LEU 41 -5.309 -0.763 -2.085 331 2HD1 LEU 41 1HD1 LEU 41 -5.329 1.002 -2.123 332 3HD1 LEU 41 3HD1 LEU 41 -4.328 0.155 -0.939 333 1HD2 LEU 41 2HD2 LEU 41 -7.379 1.554 0.817 334 2HD2 LEU 41 1HD2 LEU 41 -5.616 1.651 0.797 335 3HD2 LEU 41 3HD2 LEU 41 -6.552 2.279 -0.562 336 H THR 42 H THR 42 -9.822 -1.008 -2.572 337 HA THR 42 HA THR 42 -12.212 0.518 -1.783 338 HB THR 42 HB THR 42 -11.352 0.977 -3.987 339 HG1 THR 42 HG1 THR 42 -13.468 -0.686 -4.674 340 1HG2 THR 42 1HG2 THR 42 -11.326 -2.009 -4.175 341 2HG2 THR 42 3HG2 THR 42 -11.533 -1.067 -5.652 342 3HG2 THR 42 2HG2 THR 42 -10.091 -0.847 -4.661 343 H GLY 43 H GLY 43 -12.260 -1.643 -0.206 344 1HA GLY 43 2HA GLY 43 -14.690 -2.831 -0.365 345 2HA GLY 43 1HA GLY 43 -13.754 -3.832 -1.478 346 H TRP 44 H TRP 44 -12.370 -2.377 1.459 347 HA TRP 44 HA TRP 44 -12.742 -4.654 3.164 348 1HB TRP 44 2HB TRP 44 -11.286 -5.835 1.607 349 2HB TRP 44 1HB TRP 44 -10.111 -4.519 1.662 350 HD1 TRP 44 HD1 TRP 44 -9.155 -3.978 4.254 351 HE1 TRP 44 HE1 TRP 44 -8.447 -5.681 6.054 352 HE3 TRP 44 HE3 TRP 44 -11.548 -8.137 2.518 353 HZ2 TRP 44 HZ2 TRP 44 -8.845 -8.447 6.675 354 HZ3 TRP 44 HZ3 TRP 44 -11.369 -10.292 3.730 355 HH2 TRP 44 HH2 TRP 44 -10.021 -10.452 5.805 356 H VAL 45 H VAL 45 -10.577 -2.071 2.168 357 HA VAL 45 HA VAL 45 -9.516 -1.559 4.806 358 HB VAL 45 HB VAL 45 -9.506 -0.181 2.142 359 1HG1 VAL 45 2HG1 VAL 45 -8.626 1.025 4.767 360 2HG1 VAL 45 1HG1 VAL 45 -8.101 1.619 3.193 361 3HG1 VAL 45 3HG1 VAL 45 -9.809 1.671 3.628 362 1HG2 VAL 45 3HG2 VAL 45 -7.916 -2.061 2.918 363 2HG2 VAL 45 2HG2 VAL 45 -7.181 -0.618 2.219 364 3HG2 VAL 45 1HG2 VAL 45 -7.196 -0.840 3.969 365 H GLU 46 H GLU 46 -9.935 0.522 5.978 366 HA GLU 46 HA GLU 46 -12.797 1.344 5.694 367 1HB GLU 46 2HB GLU 46 -12.405 0.178 7.808 368 2HB GLU 46 1HB GLU 46 -11.046 1.243 8.172 369 1HG GLU 46 2HG GLU 46 -12.456 2.727 9.101 370 2HG GLU 46 1HG GLU 46 -13.301 2.884 7.561 371 H TYR 47 H TYR 47 -12.972 3.357 4.904 372 HA TYR 47 HA TYR 47 -10.696 5.234 5.200 373 1HB TYR 47 2HB TYR 47 -13.219 5.458 3.530 374 2HB TYR 47 1HB TYR 47 -11.801 6.501 3.417 375 HD1 TYR 47 HD2 TYR 47 -9.554 4.619 3.631 376 HD2 TYR 47 HD1 TYR 47 -13.292 4.219 1.540 377 HE1 TYR 47 HE2 TYR 47 -8.504 3.012 2.055 378 HE2 TYR 47 HE1 TYR 47 -12.233 2.622 -0.034 379 HH TYR 47 HH TYR 47 -9.195 1.217 0.545 380 HA PRO 48 HA PRO 48 -10.931 7.614 4.507 381 1HB PRO 48 2HB PRO 48 -9.792 9.565 6.075 382 2HB PRO 48 1HB PRO 48 -11.270 9.794 5.120 383 1HG PRO 48 2HG PRO 48 -10.976 9.390 8.068 384 2HG PRO 48 1HG PRO 48 -12.222 10.278 7.173 385 1HD PRO 48 2HD PRO 48 -12.549 7.715 8.262 386 2HD PRO 48 1HD PRO 48 -13.571 8.424 6.990 387 H LEU 49 H LEU 49 -8.966 6.747 4.161 388 HA LEU 49 HA LEU 49 -7.502 5.591 6.487 389 1HB LEU 49 2HB LEU 49 -7.905 3.876 4.945 390 2HB LEU 49 1HB LEU 49 -7.719 4.947 3.560 391 HG LEU 49 HG LEU 49 -5.232 5.116 4.285 392 1HD1 LEU 49 2HD1 LEU 49 -6.298 3.355 6.295 393 2HD1 LEU 49 1HD1 LEU 49 -5.105 2.482 5.332 394 3HD1 LEU 49 3HD1 LEU 49 -4.658 3.981 6.144 395 1HD2 LEU 49 1HD2 LEU 49 -6.710 3.141 2.763 396 2HD2 LEU 49 3HD2 LEU 49 -5.150 3.890 2.402 397 3HD2 LEU 49 2HD2 LEU 49 -5.229 2.452 3.424 398 H VAL 50 H VAL 50 -5.089 5.771 6.388 399 HA VAL 50 HA VAL 50 -4.214 8.258 4.980 400 HB VAL 50 HB VAL 50 -4.159 7.563 7.836 401 1HG1 VAL 50 2HG1 VAL 50 -1.609 8.425 6.455 402 2HG1 VAL 50 1HG1 VAL 50 -1.922 8.773 8.156 403 3HG1 VAL 50 3HG1 VAL 50 -1.833 7.102 7.600 404 1HG2 VAL 50 1HG2 VAL 50 -4.983 9.660 6.392 405 2HG2 VAL 50 3HG2 VAL 50 -4.452 9.832 8.065 406 3HG2 VAL 50 2HG2 VAL 50 -3.347 10.215 6.745 407 H LEU 51 H LEU 51 -3.005 7.363 3.314 408 HA LEU 51 HA LEU 51 -1.247 5.050 3.873 409 1HB LEU 51 2HB LEU 51 -2.535 5.232 1.719 410 2HB LEU 51 1HB LEU 51 -1.556 6.647 1.317 411 HG LEU 51 HG LEU 51 0.482 5.097 1.718 412 1HD1 LEU 51 1HD1 LEU 51 -1.653 3.311 2.263 413 2HD1 LEU 51 3HD1 LEU 51 -0.873 2.768 0.771 414 3HD1 LEU 51 2HD1 LEU 51 0.077 2.961 2.253 415 1HD2 LEU 51 1HD2 LEU 51 -1.429 4.877 -0.593 416 2HD2 LEU 51 3HD2 LEU 51 0.066 5.810 -0.498 417 3HD2 LEU 51 2HD2 LEU 51 0.123 4.049 -0.599 418 H GLU 52 H GLU 52 -0.073 6.587 5.475 419 HA GLU 52 HA GLU 52 1.534 8.741 4.464 420 1HB GLU 52 2HB GLU 52 1.208 8.638 6.826 421 2HB GLU 52 1HB GLU 52 1.755 6.962 6.902 422 1HG GLU 52 2HG GLU 52 3.917 7.588 7.075 423 2HG GLU 52 1HG GLU 52 3.772 8.698 5.711 424 H TRP 53 H TRP 53 2.468 7.844 2.479 425 HA TRP 53 HA TRP 53 4.232 5.526 2.708 426 1HB TRP 53 2HB TRP 53 2.856 6.375 0.618 427 2HB TRP 53 1HB TRP 53 4.308 7.345 0.331 428 HD1 TRP 53 HD1 TRP 53 6.681 5.699 0.761 429 HE1 TRP 53 HE1 TRP 53 7.121 3.403 -0.325 430 HE3 TRP 53 HE3 TRP 53 1.916 4.404 -0.511 431 HZ2 TRP 53 HZ2 TRP 53 5.636 1.300 -1.559 432 HZ3 TRP 53 HZ3 TRP 53 1.450 2.251 -1.636 433 HH2 TRP 53 HH2 TRP 53 3.309 0.691 -2.165 434 H ARG 54 H ARG 54 6.117 5.856 3.821 435 HA ARG 54 HA ARG 54 7.434 8.438 3.934 436 1HB ARG 54 2HB ARG 54 8.556 5.712 4.655 437 2HB ARG 54 1HB ARG 54 9.159 7.278 5.200 438 1HG ARG 54 2HG ARG 54 6.737 7.624 6.108 439 2HG ARG 54 1HG ARG 54 6.615 5.870 5.969 440 1HD ARG 54 2HD ARG 54 8.242 5.489 7.588 441 2HD ARG 54 1HD ARG 54 9.014 7.053 7.323 442 HE ARG 54 HE ARG 54 6.949 8.043 8.459 443 1HH1 ARG 54 1HH2 ARG 54 8.792 5.495 9.593 444 2HH1 ARG 54 2HH2 ARG 54 7.699 5.023 10.850 445 1HH2 ARG 54 2HH1 ARG 54 5.159 7.136 9.797 446 2HH2 ARG 54 1HH1 ARG 54 5.641 5.952 10.965 447 H GLN 55 H GLN 55 10.168 7.210 3.636 448 HA GLN 55 HA GLN 55 10.907 8.083 1.125 449 1HB GLN 55 2HB GLN 55 11.977 5.865 2.854 450 2HB GLN 55 1HB GLN 55 12.686 6.166 1.266 451 1HG GLN 55 2HG GLN 55 13.807 7.952 2.047 452 2HG GLN 55 1HG GLN 55 12.317 8.666 2.666 453 1HE2 GLN 55 2HE2 GLN 55 12.817 7.493 5.996 454 2HE2 GLN 55 1HE2 GLN 55 11.670 8.093 4.898 455 H PHE 56 H PHE 56 9.425 7.602 -0.528 456 HA PHE 56 HA PHE 56 8.544 4.877 -1.046 457 1HB PHE 56 2HB PHE 56 7.214 6.909 -1.669 458 2HB PHE 56 1HB PHE 56 8.439 7.289 -2.882 459 HD1 PHE 56 HD1 PHE 56 8.801 5.785 -4.823 460 HD2 PHE 56 HD2 PHE 56 5.648 5.096 -1.989 461 HE1 PHE 56 HE1 PHE 56 7.715 4.229 -6.410 462 HE2 PHE 56 HE2 PHE 56 4.561 3.541 -3.576 463 HZ PHE 56 HZ PHE 56 5.593 3.103 -5.789 464 H GLU 57 H GLU 57 11.215 6.889 -2.053 465 HA GLU 57 HA GLU 57 11.997 5.709 -4.466 466 1HB GLU 57 2HB GLU 57 13.128 7.541 -2.834 467 2HB GLU 57 1HB GLU 57 14.165 6.159 -2.480 468 1HG GLU 57 2HG GLU 57 13.723 6.285 -5.315 469 2HG GLU 57 1HG GLU 57 14.266 7.865 -4.750 470 H GLN 58 H GLN 58 13.570 4.759 -1.396 471 HA GLN 58 HA GLN 58 14.461 2.246 -2.404 472 1HB GLN 58 2HB GLN 58 14.731 1.644 0.027 473 2HB GLN 58 1HB GLN 58 15.508 3.158 -0.435 474 1HG GLN 58 2HG GLN 58 13.047 4.077 0.251 475 2HG GLN 58 1HG GLN 58 13.175 2.691 1.334 476 1HE2 GLN 58 2HE2 GLN 58 15.708 5.878 1.844 477 2HE2 GLN 58 1HE2 GLN 58 14.851 5.712 0.389 478 H SER 59 H SER 59 13.713 0.090 -1.606 479 HA SER 59 HA SER 59 12.031 -1.476 -1.029 480 1HB SER 59 2HB SER 59 11.113 0.490 0.415 481 2HB SER 59 1HB SER 59 9.993 0.739 -0.924 482 HG SER 59 HG SER 59 8.910 -0.761 0.106 483 H LYS 60 H LYS 60 11.164 1.194 -3.200 484 HA LYS 60 HA LYS 60 9.440 -0.515 -4.838 485 1HB LYS 60 2HB LYS 60 9.066 1.939 -4.486 486 2HB LYS 60 1HB LYS 60 10.523 2.242 -5.437 487 1HG LYS 60 2HG LYS 60 8.971 0.417 -6.939 488 2HG LYS 60 1HG LYS 60 7.854 1.655 -6.367 489 1HD LYS 60 2HD LYS 60 8.657 3.109 -7.881 490 2HD LYS 60 1HD LYS 60 10.278 2.935 -7.207 491 1HE LYS 60 2HE LYS 60 9.498 0.615 -8.799 492 2HE LYS 60 1HE LYS 60 9.470 2.107 -9.738 493 1HZ LYS 60 2HZ LYS 60 11.751 1.553 -7.970 494 2HZ LYS 60 1HZ LYS 60 11.666 0.781 -9.482 495 3HZ LYS 60 3HZ LYS 60 11.693 2.476 -9.396 496 H GLN 61 H GLN 61 12.818 0.338 -4.787 497 HA GLN 61 HA GLN 61 13.257 -0.206 -7.623 498 1HB GLN 61 2HB GLN 61 14.743 1.341 -6.465 499 2HB GLN 61 1HB GLN 61 15.192 0.080 -5.316 500 1HG GLN 61 2HG GLN 61 16.958 0.037 -6.872 501 2HG GLN 61 1HG GLN 61 15.909 -1.271 -7.419 502 1HE2 GLN 61 2HE2 GLN 61 15.329 0.226 -10.546 503 2HE2 GLN 61 1HE2 GLN 61 15.248 -1.165 -9.577 504 H LEU 62 H LEU 62 14.656 -1.744 -4.813 505 HA LEU 62 HA LEU 62 15.665 -4.060 -5.758 506 1HB LEU 62 2HB LEU 62 14.034 -4.901 -3.550 507 2HB LEU 62 1HB LEU 62 15.773 -4.621 -3.586 508 HG LEU 62 HG LEU 62 15.355 -2.191 -3.202 509 1HD1 LEU 62 1HD1 LEU 62 12.807 -2.730 -4.045 510 2HD1 LEU 62 3HD1 LEU 62 12.585 -2.687 -2.302 511 3HD1 LEU 62 2HD1 LEU 62 13.258 -1.288 -3.142 512 1HD2 LEU 62 3HD2 LEU 62 14.314 -4.237 -1.249 513 2HD2 LEU 62 2HD2 LEU 62 15.863 -3.395 -1.236 514 3HD2 LEU 62 1HD2 LEU 62 14.382 -2.524 -0.836 515 H THR 63 H THR 63 12.254 -3.362 -5.635 516 HA THR 63 HA THR 63 11.607 -6.089 -6.601 517 HB THR 63 HB THR 63 10.252 -4.902 -4.788 518 HG1 THR 63 HG1 THR 63 8.567 -6.013 -5.441 519 1HG2 THR 63 3HG2 THR 63 10.178 -2.902 -6.801 520 2HG2 THR 63 2HG2 THR 63 8.533 -3.508 -6.608 521 3HG2 THR 63 1HG2 THR 63 9.407 -2.869 -5.216 522 H GLU 64 H GLU 64 9.191 -4.777 -7.997 523 HA GLU 64 HA GLU 64 10.401 -3.289 -10.200 524 1HB GLU 64 2HB GLU 64 9.687 -5.016 -11.908 525 2HB GLU 64 1HB GLU 64 11.064 -5.496 -10.915 526 1HG GLU 64 2HG GLU 64 9.884 -7.125 -9.823 527 2HG GLU 64 1HG GLU 64 8.384 -6.197 -9.847 528 H ASN 65 H ASN 65 8.705 -1.845 -9.402 529 HA ASN 65 HA ASN 65 6.626 -0.825 -9.880 530 1HB ASN 65 2HB ASN 65 6.784 -2.828 -11.820 531 2HB ASN 65 1HB ASN 65 5.245 -3.126 -11.010 532 1HD2 ASN 65 2HD2 ASN 65 4.279 0.433 -11.753 533 2HD2 ASN 65 1HD2 ASN 65 4.560 -0.431 -10.320 534 H GLY 66 H GLY 66 7.264 -3.466 -7.976 535 1HA GLY 66 2HA GLY 66 4.747 -4.371 -7.070 536 2HA GLY 66 1HA GLY 66 6.195 -4.298 -6.060 537 H ALA 67 H ALA 67 6.730 -2.009 -5.259 538 HA ALA 67 HA ALA 67 4.571 -0.987 -3.714 539 1HB ALA 67 3HB ALA 67 7.231 0.203 -4.517 540 2HB ALA 67 2HB ALA 67 6.106 1.046 -3.453 541 3HB ALA 67 1HB ALA 67 6.783 -0.507 -2.965 542 H GLU 68 H GLU 68 5.933 0.166 -6.802 543 HA GLU 68 HA GLU 68 4.365 2.493 -7.054 544 1HB GLU 68 2HB GLU 68 6.037 0.874 -8.765 545 2HB GLU 68 1HB GLU 68 4.600 1.402 -9.641 546 1HG GLU 68 2HG GLU 68 5.063 3.741 -8.763 547 2HG GLU 68 1HG GLU 68 6.622 3.135 -8.205 548 H SER 69 H SER 69 3.485 -0.848 -7.341 549 HA SER 69 HA SER 69 1.012 -0.273 -8.809 550 1HB SER 69 2HB SER 69 1.039 -2.489 -9.238 551 2HB SER 69 1HB SER 69 2.575 -2.567 -8.385 552 HG SER 69 HG SER 69 1.202 -3.974 -7.374 553 H VAL 70 H VAL 70 1.755 -1.453 -5.469 554 HA VAL 70 HA VAL 70 -0.888 -1.407 -4.527 555 HB VAL 70 HB VAL 70 1.719 -0.725 -3.133 556 1HG1 VAL 70 1HG1 VAL 70 -1.095 -0.657 -1.988 557 2HG1 VAL 70 3HG1 VAL 70 0.355 -0.761 -0.990 558 3HG1 VAL 70 2HG1 VAL 70 0.087 0.655 -2.000 559 1HG2 VAL 70 2HG2 VAL 70 0.983 -3.124 -3.783 560 2HG2 VAL 70 1HG2 VAL 70 1.487 -2.855 -2.115 561 3HG2 VAL 70 3HG2 VAL 70 -0.229 -2.951 -2.513 562 H LEU 71 H LEU 71 1.421 1.080 -5.221 563 HA LEU 71 HA LEU 71 -0.111 3.162 -3.999 564 1HB LEU 71 2HB LEU 71 2.428 3.107 -4.614 565 2HB LEU 71 1HB LEU 71 1.873 3.657 -6.197 566 HG LEU 71 HG LEU 71 0.976 5.659 -5.317 567 1HD1 LEU 71 2HD1 LEU 71 0.977 4.141 -2.742 568 2HD1 LEU 71 1HD1 LEU 71 1.097 5.903 -2.675 569 3HD1 LEU 71 3HD1 LEU 71 -0.297 5.142 -3.457 570 1HD2 LEU 71 1HD2 LEU 71 3.598 5.156 -5.104 571 2HD2 LEU 71 3HD2 LEU 71 2.900 6.698 -4.610 572 3HD2 LEU 71 2HD2 LEU 71 3.245 5.460 -3.402 573 H GLN 72 H GLN 72 0.280 2.071 -7.395 574 HA GLN 72 HA GLN 72 -1.403 4.020 -8.554 575 1HB GLN 72 2HB GLN 72 -0.705 1.196 -9.211 576 2HB GLN 72 1HB GLN 72 -2.127 1.871 -10.007 577 1HG GLN 72 2HG GLN 72 -0.626 3.892 -10.574 578 2HG GLN 72 1HG GLN 72 0.727 2.848 -10.134 579 1HE2 GLN 72 2HE2 GLN 72 0.697 1.236 -13.254 580 2HE2 GLN 72 1HE2 GLN 72 1.567 1.692 -11.869 581 H VAL 73 H VAL 73 -2.088 1.336 -6.510 582 HA VAL 73 HA VAL 73 -4.990 1.395 -6.949 583 HB VAL 73 HB VAL 73 -3.204 -0.116 -5.038 584 1HG1 VAL 73 2HG1 VAL 73 -5.631 0.464 -4.230 585 2HG1 VAL 73 1HG1 VAL 73 -6.114 -0.699 -5.454 586 3HG1 VAL 73 3HG1 VAL 73 -5.075 -1.201 -4.135 587 1HG2 VAL 73 2HG2 VAL 73 -3.204 -0.658 -7.484 588 2HG2 VAL 73 1HG2 VAL 73 -3.774 -1.987 -6.472 589 3HG2 VAL 73 3HG2 VAL 73 -4.931 -0.994 -7.364 590 H PHE 74 H PHE 74 -2.834 2.214 -4.212 591 HA PHE 74 HA PHE 74 -4.795 3.057 -2.429 592 1HB PHE 74 2HB PHE 74 -1.903 3.544 -2.848 593 2HB PHE 74 1HB PHE 74 -2.751 4.745 -1.891 594 HD1 PHE 74 HD2 PHE 74 -3.891 4.120 0.210 595 HD2 PHE 74 HD1 PHE 74 -1.640 1.280 -2.066 596 HE1 PHE 74 HE2 PHE 74 -3.885 2.559 2.134 597 HE2 PHE 74 HE1 PHE 74 -1.642 -0.283 -0.151 598 HZ PHE 74 HZ PHE 74 -2.776 0.372 1.950 599 H ARG 75 H ARG 75 -2.849 4.939 -4.706 600 HA ARG 75 HA ARG 75 -4.323 7.365 -4.467 601 1HB ARG 75 2HB ARG 75 -2.475 6.199 -6.532 602 2HB ARG 75 1HB ARG 75 -3.390 7.654 -6.926 603 1HG ARG 75 2HG ARG 75 -2.516 8.679 -4.789 604 2HG ARG 75 1HG ARG 75 -1.458 7.276 -4.624 605 1HD ARG 75 2HD ARG 75 -0.029 8.043 -6.200 606 2HD ARG 75 1HD ARG 75 -1.343 8.464 -7.297 607 HE ARG 75 HE ARG 75 -0.041 10.273 -5.397 608 1HH1 ARG 75 2HH1 ARG 75 -3.080 9.500 -6.780 609 2HH1 ARG 75 1HH1 ARG 75 -3.522 11.146 -7.082 610 1HH2 ARG 75 1HH2 ARG 75 -0.488 12.437 -6.006 611 2HH2 ARG 75 2HH2 ARG 75 -2.054 12.810 -6.644 612 H GLU 76 H GLU 76 -4.698 4.523 -6.676 613 HA GLU 76 HA GLU 76 -6.803 5.652 -8.260 614 1HB GLU 76 2HB GLU 76 -5.855 2.912 -7.601 615 2HB GLU 76 1HB GLU 76 -7.508 3.047 -8.203 616 1HG GLU 76 2HG GLU 76 -6.833 3.927 -10.254 617 2HG GLU 76 1HG GLU 76 -5.288 4.492 -9.618 618 H ALA 77 H ALA 77 -6.704 4.540 -5.020 619 HA ALA 77 HA ALA 77 -9.586 4.120 -4.741 620 1HB ALA 77 2HB ALA 77 -7.642 3.008 -3.388 621 2HB ALA 77 1HB ALA 77 -7.626 4.516 -2.471 622 3HB ALA 77 3HB ALA 77 -9.079 3.515 -2.504 623 H LYS 78 H LYS 78 -7.262 6.506 -3.380 624 HA LYS 78 HA LYS 78 -9.270 8.257 -2.387 625 1HB LYS 78 2HB LYS 78 -7.491 9.751 -2.003 626 2HB LYS 78 1HB LYS 78 -6.724 8.173 -1.911 627 1HG LYS 78 2HG LYS 78 -6.190 8.447 -4.397 628 2HG LYS 78 1HG LYS 78 -6.659 10.138 -4.209 629 1HD LYS 78 2HD LYS 78 -4.591 8.800 -2.451 630 2HD LYS 78 1HD LYS 78 -4.176 9.672 -3.928 631 1HE LYS 78 2HE LYS 78 -5.683 11.562 -2.823 632 2HE LYS 78 1HE LYS 78 -5.235 10.728 -1.336 633 1HZ LYS 78 3HZ LYS 78 -3.048 11.162 -3.166 634 2HZ LYS 78 2HZ LYS 78 -3.734 12.592 -2.558 635 3HZ LYS 78 1HZ LYS 78 -3.129 11.416 -1.491 636 H ALA 79 H ALA 79 -8.283 7.524 -5.564 637 HA ALA 79 HA ALA 79 -9.097 10.124 -6.710 638 1HB ALA 79 3HB ALA 79 -7.325 8.159 -7.526 639 2HB ALA 79 2HB ALA 79 -8.733 7.857 -8.546 640 3HB ALA 79 1HB ALA 79 -7.955 9.444 -8.556 641 H GLU 80 H GLU 80 -9.902 6.805 -7.610 642 HA GLU 80 HA GLU 80 -12.284 7.253 -8.920 643 1HB GLU 80 2HB GLU 80 -11.769 4.922 -7.055 644 2HB GLU 80 1HB GLU 80 -12.842 4.956 -8.452 645 1HG GLU 80 2HG GLU 80 -10.142 5.800 -9.145 646 2HG GLU 80 1HG GLU 80 -10.181 4.164 -8.484 647 H GLY 81 H GLY 81 -12.140 6.313 -5.434 648 1HA GLY 81 2HA GLY 81 -14.209 8.290 -4.814 649 2HA GLY 81 1HA GLY 81 -14.822 6.635 -4.802 650 H ALA 82 H ALA 82 -12.365 5.453 -3.802 651 HA ALA 82 HA ALA 82 -12.756 5.267 -1.108 652 1HB ALA 82 3HB ALA 82 -10.795 4.409 -2.786 653 2HB ALA 82 2HB ALA 82 -9.899 5.568 -1.801 654 3HB ALA 82 1HB ALA 82 -10.736 4.219 -1.033 655 H ASP 83 H ASP 83 -11.910 6.307 0.776 656 HA ASP 83 HA ASP 83 -11.256 9.192 0.353 657 1HB ASP 83 2HB ASP 83 -12.871 7.715 2.343 658 2HB ASP 83 1HB ASP 83 -11.810 8.946 3.030 659 H ILE 84 H ILE 84 -9.101 7.829 -0.131 660 HA ILE 84 HA ILE 84 -7.629 7.414 2.423 661 HB ILE 84 HB ILE 84 -7.030 6.546 -0.418 662 1HG1 ILE 84 2HG1 ILE 84 -7.276 4.639 1.825 663 2HG1 ILE 84 1HG1 ILE 84 -8.768 5.448 1.349 664 1HG2 ILE 84 2HG2 ILE 84 -5.043 7.152 1.175 665 2HG2 ILE 84 1HG2 ILE 84 -5.515 5.685 2.036 666 3HG2 ILE 84 3HG2 ILE 84 -5.016 5.595 0.345 667 1HD1 ILE 84 1HD1 ILE 84 -6.969 4.267 -0.745 668 2HD1 ILE 84 3HD1 ILE 84 -8.079 3.228 0.146 669 3HD1 ILE 84 2HD1 ILE 84 -8.704 4.567 -0.812 670 H THR 85 H THR 85 -5.661 8.464 2.785 671 HA THR 85 HA THR 85 -5.161 10.844 1.058 672 HB THR 85 HB THR 85 -4.492 10.281 3.965 673 HG1 THR 85 HG1 THR 85 -5.772 12.246 4.148 674 1HG2 THR 85 1HG2 THR 85 -3.518 12.387 2.058 675 2HG2 THR 85 3HG2 THR 85 -3.708 12.773 3.768 676 3HG2 THR 85 2HG2 THR 85 -2.613 11.483 3.273 677 H ILE 86 H ILE 86 -3.767 9.947 -0.468 678 HA ILE 86 HA ILE 86 -1.623 8.156 0.358 679 HB ILE 86 HB ILE 86 -2.771 9.121 -2.175 680 1HG1 ILE 86 2HG1 ILE 86 -2.494 6.837 -2.797 681 2HG1 ILE 86 1HG1 ILE 86 -1.238 6.583 -1.589 682 1HG2 ILE 86 1HG2 ILE 86 0.201 8.556 -1.952 683 2HG2 ILE 86 3HG2 ILE 86 -0.694 8.535 -3.471 684 3HG2 ILE 86 2HG2 ILE 86 -0.555 10.033 -2.550 685 1HD1 ILE 86 2HD1 ILE 86 -3.578 7.506 -0.225 686 2HD1 ILE 86 1HD1 ILE 86 -4.060 6.208 -1.314 687 3HD1 ILE 86 3HD1 ILE 86 -2.805 5.921 -0.104 688 H ILE 87 H ILE 87 0.127 8.903 1.354 689 HA ILE 87 HA ILE 87 0.975 11.712 0.921 690 HB ILE 87 HB ILE 87 2.209 9.695 2.808 691 1HG1 ILE 87 2HG1 ILE 87 -0.306 9.952 3.102 692 2HG1 ILE 87 1HG1 ILE 87 0.662 10.402 4.506 693 1HG2 ILE 87 1HG2 ILE 87 2.092 12.723 2.718 694 2HG2 ILE 87 3HG2 ILE 87 2.769 11.794 4.056 695 3HG2 ILE 87 2HG2 ILE 87 3.518 11.716 2.461 696 1HD1 ILE 87 2HD1 ILE 87 0.580 12.786 3.714 697 2HD1 ILE 87 1HD1 ILE 87 -0.544 12.276 2.455 698 3HD1 ILE 87 3HD1 ILE 87 -0.998 12.132 4.152 699 H LEU 88 H LEU 88 2.699 12.215 -0.354 700 HA LEU 88 HA LEU 88 4.774 10.164 -0.871 701 1HB LEU 88 2HB LEU 88 3.007 11.418 -2.978 702 2HB LEU 88 1HB LEU 88 4.605 10.779 -3.368 703 HG LEU 88 HG LEU 88 2.608 9.108 -1.852 704 1HD1 LEU 88 2HD1 LEU 88 1.500 9.872 -3.928 705 2HD1 LEU 88 1HD1 LEU 88 2.888 9.320 -4.866 706 3HD1 LEU 88 3HD1 LEU 88 1.885 8.151 -4.006 707 1HD2 LEU 88 3HD2 LEU 88 4.994 8.541 -3.639 708 2HD2 LEU 88 2HD2 LEU 88 4.895 8.293 -1.896 709 3HD2 LEU 88 1HD2 LEU 88 3.934 7.291 -2.985 710 H SER 89 HN SER 89 6.590 11.263 -0.304 711 HA SER 89 HA SER 89 7.117 13.871 -1.588 712 1HB SER 89 2HB SER 89 6.223 14.785 0.373 713 2HB SER 89 1HB SER 89 6.801 13.452 1.374 714 HG SER 89 HG SER 89 7.967 15.775 0.921 No H/Q in entry = 714 Start of MODEL 13 1 1H LYS 1 3H LYS 1 -8.084 4.159 7.443 2 2H LYS 1 2H LYS 1 -9.133 3.690 8.693 3 3H LYS 1 1H LYS 1 -8.564 5.288 8.614 4 HA LYS 1 HA LYS 1 -7.348 4.179 10.317 5 1HB LYS 1 2HB LYS 1 -7.652 1.969 8.533 6 2HB LYS 1 1HB LYS 1 -5.925 2.227 8.786 7 1HG LYS 1 2HG LYS 1 -6.285 0.990 10.672 8 2HG LYS 1 1HG LYS 1 -6.836 2.533 11.328 9 1HD LYS 1 2HD LYS 1 -8.961 1.247 9.834 10 2HD LYS 1 1HD LYS 1 -8.345 0.172 11.090 11 1HE LYS 1 2HE LYS 1 -9.382 1.376 12.680 12 2HE LYS 1 1HE LYS 1 -8.554 2.839 12.150 13 1HZ LYS 1 2HZ LYS 1 -10.325 2.679 10.237 14 2HZ LYS 1 1HZ LYS 1 -11.201 1.832 11.421 15 3HZ LYS 1 3HZ LYS 1 -10.692 3.422 11.720 16 H LYS 2 H LYS 2 -4.717 3.634 10.005 17 HA LYS 2 HA LYS 2 -3.765 5.682 8.053 18 1HB LYS 2 2HB LYS 2 -3.316 6.915 9.914 19 2HB LYS 2 1HB LYS 2 -3.394 5.519 10.982 20 1HG LYS 2 2HG LYS 2 -1.123 6.573 10.870 21 2HG LYS 2 1HG LYS 2 -1.122 4.879 10.388 22 1HD LYS 2 2HD LYS 2 -0.210 5.479 8.422 23 2HD LYS 2 1HD LYS 2 -1.677 6.385 8.054 24 1HE LYS 2 2HE LYS 2 0.822 7.386 9.427 25 2HE LYS 2 1HE LYS 2 0.108 7.968 7.924 26 1HZ LYS 2 2HZ LYS 2 -1.931 8.309 9.573 27 2HZ LYS 2 1HZ LYS 2 -0.655 8.511 10.677 28 3HZ LYS 2 3HZ LYS 2 -0.754 9.505 9.307 29 H ALA 3 H ALA 3 -2.824 4.417 6.522 30 HA ALA 3 HA ALA 3 -1.227 2.064 7.299 31 1HB ALA 3 2HB ALA 3 -2.512 3.056 4.857 32 2HB ALA 3 1HB ALA 3 -0.877 2.462 4.569 33 3HB ALA 3 3HB ALA 3 -2.083 1.404 5.301 34 H VAL 4 H VAL 4 1.025 2.054 7.255 35 HA VAL 4 HA VAL 4 2.323 4.574 6.324 36 HB VAL 4 HB VAL 4 2.775 3.071 8.910 37 1HG1 VAL 4 3HG1 VAL 4 4.602 4.808 7.321 38 2HG1 VAL 4 2HG1 VAL 4 4.553 5.080 9.062 39 3HG1 VAL 4 1HG1 VAL 4 4.986 3.492 8.431 40 1HG2 VAL 4 3HG2 VAL 4 1.639 5.681 8.074 41 2HG2 VAL 4 2HG2 VAL 4 1.256 4.686 9.479 42 3HG2 VAL 4 1HG2 VAL 4 2.683 5.723 9.495 43 H ILE 5 H ILE 5 3.620 4.047 4.690 44 HA ILE 5 HA ILE 5 4.817 1.350 4.522 45 HB ILE 5 HB ILE 5 5.232 3.584 2.544 46 1HG1 ILE 5 2HG1 ILE 5 2.714 3.128 3.296 47 2HG1 ILE 5 1HG1 ILE 5 3.120 3.376 1.613 48 1HG2 ILE 5 2HG2 ILE 5 5.619 0.681 2.674 49 2HG2 ILE 5 1HG2 ILE 5 4.810 1.208 1.201 50 3HG2 ILE 5 3HG2 ILE 5 6.385 1.875 1.626 51 1HD1 ILE 5 3HD1 ILE 5 3.310 0.871 1.373 52 2HD1 ILE 5 2HD1 ILE 5 2.662 0.735 3.008 53 3HD1 ILE 5 1HD1 ILE 5 1.686 1.457 1.726 54 H ASN 6 H ASN 6 7.005 1.034 4.949 55 HA ASN 6 HA ASN 6 8.585 3.515 5.459 56 1HB ASN 6 2HB ASN 6 9.239 0.948 6.859 57 2HB ASN 6 1HB ASN 6 9.491 2.611 7.397 58 1HD2 ASN 6 2HD2 ASN 6 6.558 1.121 9.247 59 2HD2 ASN 6 1HD2 ASN 6 8.176 0.644 9.056 60 H GLY 7 H GLY 7 10.127 3.694 3.926 61 1HA GLY 7 2HA GLY 7 10.987 1.357 2.403 62 2HA GLY 7 1HA GLY 7 11.568 3.013 2.177 63 H GLU 8 H GLU 8 11.743 2.411 5.425 64 HA GLU 8 HA GLU 8 14.608 1.714 5.198 65 1HB GLU 8 2HB GLU 8 14.049 2.450 7.851 66 2HB GLU 8 1HB GLU 8 14.895 3.413 6.644 67 1HG GLU 8 2HG GLU 8 12.628 4.176 5.826 68 2HG GLU 8 1HG GLU 8 11.939 3.407 7.257 69 H GLN 9 H GLN 9 11.584 0.727 6.536 70 HA GLN 9 HA GLN 9 12.886 -1.497 8.012 71 1HB GLN 9 2HB GLN 9 11.057 0.000 9.055 72 2HB GLN 9 1HB GLN 9 9.936 -0.868 8.005 73 1HG GLN 9 2HG GLN 9 10.589 -2.998 8.994 74 2HG GLN 9 1HG GLN 9 11.819 -2.199 9.974 75 1HE2 GLN 9 2HE2 GLN 9 9.536 -1.205 12.471 76 2HE2 GLN 9 1HE2 GLN 9 11.151 -1.262 11.953 77 H ILE 10 H ILE 10 11.111 -0.768 5.188 78 HA ILE 10 HA ILE 10 10.200 -3.520 4.726 79 HB ILE 10 HB ILE 10 10.256 -1.102 2.896 80 1HG1 ILE 10 2HG1 ILE 10 8.784 -1.019 4.978 81 2HG1 ILE 10 1HG1 ILE 10 7.934 -0.834 3.445 82 1HG2 ILE 10 1HG2 ILE 10 9.822 -3.886 2.358 83 2HG2 ILE 10 3HG2 ILE 10 8.298 -3.022 2.145 84 3HG2 ILE 10 2HG2 ILE 10 9.729 -2.525 1.240 85 1HD1 ILE 10 3HD1 ILE 10 7.585 -3.396 3.556 86 2HD1 ILE 10 2HD1 ILE 10 8.048 -3.249 5.250 87 3HD1 ILE 10 1HD1 ILE 10 6.630 -2.397 4.647 88 H ARG 11 H ARG 11 12.031 -4.813 4.594 89 HA ARG 11 HA ARG 11 14.467 -4.117 3.260 90 1HB ARG 11 2HB ARG 11 13.702 -6.974 3.089 91 2HB ARG 11 1HB ARG 11 15.161 -6.238 3.757 92 1HG ARG 11 2HG ARG 11 13.705 -5.471 5.713 93 2HG ARG 11 1HG ARG 11 12.469 -6.561 5.081 94 1HD ARG 11 2HD ARG 11 15.107 -7.824 5.249 95 2HD ARG 11 1HD ARG 11 14.514 -7.279 6.818 96 HE ARG 11 HE ARG 11 13.156 -9.268 5.067 97 1HH1 ARG 11 1HH2 ARG 11 12.739 -7.123 7.671 98 2HH1 ARG 11 2HH2 ARG 11 11.947 -8.274 8.695 99 1HH2 ARG 11 2HH1 ARG 11 12.436 -10.936 6.527 100 2HH2 ARG 11 1HH1 ARG 11 11.776 -10.433 8.047 101 H SER 12 H SER 12 11.605 -5.887 2.160 102 HA SER 12 HA SER 12 12.143 -4.986 -0.605 103 1HB SER 12 2HB SER 12 12.794 -7.628 0.290 104 2HB SER 12 1HB SER 12 11.408 -7.740 -0.789 105 HG SER 12 HG SER 12 12.879 -7.557 -2.285 106 H ILE 13 H ILE 13 10.188 -5.912 -2.024 107 HA ILE 13 HA ILE 13 7.797 -4.840 -1.005 108 HB ILE 13 HB ILE 13 8.269 -5.486 -3.414 109 1HG1 ILE 13 2HG1 ILE 13 5.824 -6.349 -3.719 110 2HG1 ILE 13 1HG1 ILE 13 5.711 -6.125 -1.973 111 1HG2 ILE 13 1HG2 ILE 13 7.545 -8.200 -2.281 112 2HG2 ILE 13 3HG2 ILE 13 7.525 -7.825 -4.006 113 3HG2 ILE 13 2HG2 ILE 13 9.040 -7.755 -3.105 114 1HD1 ILE 13 3HD1 ILE 13 6.700 -3.949 -3.820 115 2HD1 ILE 13 2HD1 ILE 13 4.998 -4.131 -3.391 116 3HD1 ILE 13 1HD1 ILE 13 6.191 -3.798 -2.138 117 H SER 14 H SER 14 9.304 -7.881 -0.325 118 HA SER 14 HA SER 14 7.070 -9.435 0.471 119 1HB SER 14 2HB SER 14 9.564 -10.106 0.360 120 2HB SER 14 1HB SER 14 9.691 -9.417 1.976 121 HG SER 14 HG SER 14 8.316 -10.928 2.735 122 H ASP 15 H ASP 15 9.041 -7.133 2.373 123 HA ASP 15 HA ASP 15 7.372 -7.388 4.724 124 1HB ASP 15 2HB ASP 15 9.764 -5.915 3.905 125 2HB ASP 15 1HB ASP 15 8.698 -4.957 4.925 126 H LEU 16 H LEU 16 7.289 -5.566 1.820 127 HA LEU 16 HA LEU 16 5.655 -3.364 2.618 128 1HB LEU 16 2HB LEU 16 6.841 -3.686 0.384 129 2HB LEU 16 1HB LEU 16 5.551 -4.799 -0.050 130 HG LEU 16 HG LEU 16 4.165 -3.096 -0.590 131 1HD1 LEU 16 1HD1 LEU 16 5.012 -1.765 1.999 132 2HD1 LEU 16 3HD1 LEU 16 3.806 -1.100 0.896 133 3HD1 LEU 16 2HD1 LEU 16 3.514 -2.643 1.696 134 1HD2 LEU 16 1HD2 LEU 16 6.600 -2.266 -1.176 135 2HD2 LEU 16 3HD2 LEU 16 5.217 -1.188 -1.371 136 3HD2 LEU 16 2HD2 LEU 16 6.249 -1.053 0.054 137 H HIS 17 H HIS 17 4.810 -6.578 1.296 138 HA HIS 17 HA HIS 17 2.010 -6.341 1.354 139 1HB HIS 17 2HB HIS 17 3.609 -8.792 2.096 140 2HB HIS 17 1HB HIS 17 1.985 -8.765 1.407 141 HD1 HIS 17 HD1 HIS 17 3.399 -10.392 -0.344 142 HD2 HIS 17 HD2 HIS 17 4.151 -6.292 -0.548 143 HE1 HIS 17 HE1 HIS 17 4.500 -9.976 -2.581 144 H GLN 18 H GLN 18 4.295 -6.849 3.927 145 HA GLN 18 HA GLN 18 2.263 -7.601 5.877 146 1HB GLN 18 2HB GLN 18 5.074 -6.669 6.468 147 2HB GLN 18 1HB GLN 18 4.046 -7.693 7.472 148 1HG GLN 18 2HG GLN 18 4.046 -9.286 5.394 149 2HG GLN 18 1HG GLN 18 5.490 -8.386 4.926 150 1HE2 GLN 18 2HE2 GLN 18 5.716 -11.112 7.908 151 2HE2 GLN 18 1HE2 GLN 18 4.281 -10.863 7.034 152 H THR 19 H THR 19 3.854 -4.685 4.865 153 HA THR 19 HA THR 19 2.969 -3.110 7.134 154 HB THR 19 HB THR 19 4.060 -2.395 4.413 155 HG1 THR 19 HG1 THR 19 5.365 -3.218 6.225 156 1HG2 THR 19 3HG2 THR 19 2.843 -0.644 6.519 157 2HG2 THR 19 2HG2 THR 19 4.228 -0.050 5.603 158 3HG2 THR 19 1HG2 THR 19 2.747 -0.510 4.763 159 H LEU 20 H LEU 20 1.738 -3.740 3.931 160 HA LEU 20 HA LEU 20 -0.551 -1.937 4.262 161 1HB LEU 20 2HB LEU 20 -0.452 -4.134 2.215 162 2HB LEU 20 1HB LEU 20 -1.134 -2.509 2.067 163 HG LEU 20 HG LEU 20 1.788 -3.222 2.220 164 1HD1 LEU 20 1HD1 LEU 20 -0.064 -2.993 0.039 165 2HD1 LEU 20 3HD1 LEU 20 1.133 -1.704 -0.082 166 3HD1 LEU 20 2HD1 LEU 20 1.654 -3.388 -0.018 167 1HD2 LEU 20 1HD2 LEU 20 0.838 -0.993 3.285 168 2HD2 LEU 20 3HD2 LEU 20 2.304 -0.957 2.306 169 3HD2 LEU 20 2HD2 LEU 20 0.760 -0.480 1.600 170 H LYS 21 H LYS 21 0.230 -5.328 4.518 171 HA LYS 21 HA LYS 21 -2.506 -6.200 4.998 172 1HB LYS 21 2HB LYS 21 -0.901 -7.823 4.191 173 2HB LYS 21 1HB LYS 21 0.181 -7.493 5.549 174 1HG LYS 21 2HG LYS 21 -0.957 -8.898 6.903 175 2HG LYS 21 1HG LYS 21 -2.506 -8.190 6.443 176 1HD LYS 21 2HD LYS 21 -2.945 -9.870 5.004 177 2HD LYS 21 1HD LYS 21 -1.346 -9.742 4.267 178 1HE LYS 21 2HE LYS 21 -1.529 -10.947 6.995 179 2HE LYS 21 1HE LYS 21 -2.072 -11.919 5.628 180 1HZ LYS 21 3HZ LYS 21 0.079 -11.438 4.549 181 2HZ LYS 21 2HZ LYS 21 0.593 -10.656 5.967 182 3HZ LYS 21 1HZ LYS 21 0.242 -12.319 5.989 183 H LYS 22 H LYS 22 0.017 -4.754 6.862 184 HA LYS 22 HA LYS 22 -1.102 -5.589 9.449 185 1HB LYS 22 2HB LYS 22 1.227 -5.315 9.561 186 2HB LYS 22 1HB LYS 22 1.201 -3.864 8.562 187 1HG LYS 22 2HG LYS 22 0.225 -2.565 10.352 188 2HG LYS 22 1HG LYS 22 0.005 -4.009 11.342 189 1HD LYS 22 2HD LYS 22 2.449 -4.330 11.432 190 2HD LYS 22 1HD LYS 22 2.675 -2.890 10.438 191 1HE LYS 22 2HE LYS 22 1.044 -1.950 12.447 192 2HE LYS 22 1HE LYS 22 2.063 -3.105 13.307 193 1HZ LYS 22 1HZ LYS 22 3.246 -1.160 11.433 194 2HZ LYS 22 3HZ LYS 22 2.886 -0.706 13.027 195 3HZ LYS 22 2HZ LYS 22 3.979 -1.973 12.733 196 H GLU 23 H GLU 23 -0.901 -2.581 7.518 197 HA GLU 23 HA GLU 23 -2.515 -1.112 9.455 198 1HB GLU 23 2HB GLU 23 -1.847 -0.355 6.605 199 2HB GLU 23 1HB GLU 23 -2.385 0.728 7.889 200 1HG GLU 23 2HG GLU 23 0.022 -0.904 8.489 201 2HG GLU 23 1HG GLU 23 0.226 0.361 7.276 202 H LEU 24 H LEU 24 -3.026 -2.174 6.137 203 HA LEU 24 HA LEU 24 -5.825 -1.550 6.076 204 1HB LEU 24 2HB LEU 24 -4.506 -3.733 4.451 205 2HB LEU 24 1HB LEU 24 -5.890 -2.736 4.008 206 HG LEU 24 HG LEU 24 -3.209 -1.476 4.560 207 1HD1 LEU 24 1HD1 LEU 24 -4.185 -2.739 1.994 208 2HD1 LEU 24 3HD1 LEU 24 -2.871 -1.565 2.062 209 3HD1 LEU 24 2HD1 LEU 24 -2.708 -3.115 2.883 210 1HD2 LEU 24 1HD2 LEU 24 -5.639 -0.377 4.181 211 2HD2 LEU 24 3HD2 LEU 24 -4.151 0.399 3.648 212 3HD2 LEU 24 2HD2 LEU 24 -5.125 -0.519 2.500 213 H ALA 25 H ALA 25 -3.976 -4.306 7.193 214 HA ALA 25 HA ALA 25 -4.680 -6.085 8.571 215 1HB ALA 25 3HB ALA 25 -6.649 -4.130 8.940 216 2HB ALA 25 2HB ALA 25 -7.546 -5.589 8.516 217 3HB ALA 25 1HB ALA 25 -6.443 -5.601 9.892 218 H LEU 26 H LEU 26 -4.269 -6.651 5.970 219 HA LEU 26 HA LEU 26 -6.673 -7.897 4.812 220 1HB LEU 26 2HB LEU 26 -3.864 -8.231 3.763 221 2HB LEU 26 1HB LEU 26 -5.387 -8.229 2.868 222 HG LEU 26 HG LEU 26 -4.216 -5.823 4.293 223 1HD1 LEU 26 2HD1 LEU 26 -3.381 -6.930 1.905 224 2HD1 LEU 26 1HD1 LEU 26 -4.570 -5.740 1.379 225 3HD1 LEU 26 3HD1 LEU 26 -3.192 -5.237 2.358 226 1HD2 LEU 26 1HD2 LEU 26 -6.851 -6.458 3.280 227 2HD2 LEU 26 3HD2 LEU 26 -6.312 -5.005 4.120 228 3HD2 LEU 26 2HD2 LEU 26 -6.161 -5.116 2.367 229 HA PRO 27 HA PRO 27 -5.931 -11.938 6.330 230 1HB PRO 27 2HB PRO 27 -6.836 -13.437 4.214 231 2HB PRO 27 1HB PRO 27 -7.906 -12.548 5.315 232 1HG PRO 27 2HG PRO 27 -7.125 -11.886 2.515 233 2HG PRO 27 1HG PRO 27 -8.597 -11.454 3.398 234 1HD PRO 27 2HD PRO 27 -6.394 -9.751 2.916 235 2HD PRO 27 1HD PRO 27 -7.707 -9.453 4.075 236 H GLU 28 H GLU 28 -5.223 -14.253 5.054 237 HA GLU 28 HA GLU 28 -2.384 -13.819 4.517 238 1HB GLU 28 2HB GLU 28 -3.086 -15.762 5.821 239 2HB GLU 28 1HB GLU 28 -4.080 -16.331 4.479 240 1HG GLU 28 2HG GLU 28 -2.127 -17.582 4.188 241 2HG GLU 28 1HG GLU 28 -1.836 -16.207 3.123 242 H TYR 29 H TYR 29 -5.071 -15.293 2.654 243 HA TYR 29 HA TYR 29 -3.625 -15.692 0.261 244 1HB TYR 29 2HB TYR 29 -5.820 -15.724 -0.863 245 2HB TYR 29 1HB TYR 29 -5.866 -16.636 0.649 246 HD1 TYR 29 HD2 TYR 29 -6.453 -13.171 -0.667 247 HD2 TYR 29 HD1 TYR 29 -7.533 -16.171 2.212 248 HE1 TYR 29 HE2 TYR 29 -8.299 -11.727 0.143 249 HE2 TYR 29 HE1 TYR 29 -9.378 -14.725 3.025 250 HH TYR 29 HH TYR 29 -10.581 -12.169 1.354 251 H TYR 30 H TYR 30 -4.597 -12.778 1.717 252 HA TYR 30 HA TYR 30 -5.180 -10.957 -0.240 253 1HB TYR 30 2HB TYR 30 -4.866 -10.060 1.914 254 2HB TYR 30 1HB TYR 30 -3.269 -10.784 2.086 255 HD1 TYR 30 HD1 TYR 30 -5.050 -8.438 -0.254 256 HD2 TYR 30 HD2 TYR 30 -1.452 -9.356 1.903 257 HE1 TYR 30 HE1 TYR 30 -4.011 -6.351 -1.099 258 HE2 TYR 30 HE2 TYR 30 -0.412 -7.270 1.057 259 HH TYR 30 HH TYR 30 -0.969 -5.748 -1.260 260 H GLY 31 H GLY 31 -4.083 -9.906 -1.918 261 1HA GLY 31 2HA GLY 31 -1.468 -11.141 -2.674 262 2HA GLY 31 1HA GLY 31 -2.631 -10.489 -3.833 263 H GLU 32 H GLU 32 0.192 -9.766 -3.439 264 HA GLU 32 HA GLU 32 0.064 -7.040 -2.312 265 1HB GLU 32 2HB GLU 32 2.450 -7.028 -2.520 266 2HB GLU 32 1HB GLU 32 2.011 -8.638 -1.947 267 1HG GLU 32 2HG GLU 32 2.223 -8.171 -4.909 268 2HG GLU 32 1HG GLU 32 3.698 -8.361 -3.965 269 H ASN 33 H ASN 33 -1.213 -8.049 -4.954 270 HA ASN 33 HA ASN 33 0.129 -6.113 -6.775 271 1HB ASN 33 2HB ASN 33 -1.778 -7.435 -8.289 272 2HB ASN 33 1HB ASN 33 -0.058 -7.800 -8.256 273 1HD2 ASN 33 2HD2 ASN 33 -2.540 -10.147 -5.948 274 2HD2 ASN 33 1HD2 ASN 33 -2.950 -8.520 -6.202 275 H LEU 34 H LEU 34 -1.387 -4.896 -8.235 276 HA LEU 34 HA LEU 34 -3.183 -3.344 -6.650 277 1HB LEU 34 2HB LEU 34 -3.988 -2.594 -9.051 278 2HB LEU 34 1HB LEU 34 -2.381 -2.151 -8.477 279 HG LEU 34 HG LEU 34 -2.535 -4.783 -9.805 280 1HD1 LEU 34 3HD1 LEU 34 -3.837 -2.564 -11.017 281 2HD1 LEU 34 2HD1 LEU 34 -2.305 -2.787 -11.863 282 3HD1 LEU 34 1HD1 LEU 34 -3.454 -4.120 -11.752 283 1HD2 LEU 34 2HD2 LEU 34 -0.652 -2.718 -9.171 284 2HD2 LEU 34 1HD2 LEU 34 -0.331 -4.319 -9.840 285 3HD2 LEU 34 3HD2 LEU 34 -0.644 -2.959 -10.921 286 H ASP 35 H ASP 35 -3.666 -6.416 -7.986 287 HA ASP 35 HA ASP 35 -6.519 -6.047 -8.535 288 1HB ASP 35 2HB ASP 35 -6.154 -8.757 -8.232 289 2HB ASP 35 1HB ASP 35 -6.082 -7.888 -9.759 290 H ALA 36 H ALA 36 -4.694 -7.965 -6.120 291 HA ALA 36 HA ALA 36 -7.043 -8.424 -4.508 292 1HB ALA 36 3HB ALA 36 -4.862 -9.814 -4.598 293 2HB ALA 36 2HB ALA 36 -4.211 -8.602 -3.495 294 3HB ALA 36 1HB ALA 36 -5.607 -9.570 -3.017 295 H LEU 37 H LEU 37 -4.373 -6.167 -4.392 296 HA LEU 37 HA LEU 37 -5.038 -4.946 -1.881 297 1HB LEU 37 2HB LEU 37 -2.862 -4.629 -3.063 298 2HB LEU 37 1HB LEU 37 -3.706 -3.671 -4.278 299 HG LEU 37 HG LEU 37 -4.534 -2.610 -1.816 300 1HD1 LEU 37 3HD1 LEU 37 -1.552 -3.166 -1.881 301 2HD1 LEU 37 2HD1 LEU 37 -2.318 -2.006 -0.796 302 3HD1 LEU 37 1HD1 LEU 37 -2.705 -3.722 -0.667 303 1HD2 LEU 37 1HD2 LEU 37 -2.769 -1.796 -4.086 304 2HD2 LEU 37 3HD2 LEU 37 -4.273 -1.079 -3.520 305 3HD2 LEU 37 2HD2 LEU 37 -2.776 -0.781 -2.644 306 H TRP 38 H TRP 38 -5.665 -3.855 -5.227 307 HA TRP 38 HA TRP 38 -7.384 -1.702 -4.577 308 1HB TRP 38 2HB TRP 38 -6.550 -2.105 -6.856 309 2HB TRP 38 1HB TRP 38 -7.421 -3.623 -6.908 310 HD1 TRP 38 HD1 TRP 38 -9.456 -3.537 -8.219 311 HE1 TRP 38 HE1 TRP 38 -11.265 -1.803 -8.830 312 HE3 TRP 38 HE3 TRP 38 -7.713 0.506 -5.635 313 HZ2 TRP 38 HZ2 TRP 38 -11.868 0.938 -8.312 314 HZ3 TRP 38 HZ3 TRP 38 -8.894 2.666 -5.744 315 HH2 TRP 38 HH2 TRP 38 -10.979 2.890 -7.067 316 H ASP 39 H ASP 39 -7.990 -5.120 -5.045 317 HA ASP 39 HA ASP 39 -10.812 -5.076 -4.732 318 1HB ASP 39 2HB ASP 39 -8.684 -7.091 -4.626 319 2HB ASP 39 1HB ASP 39 -10.039 -7.456 -3.553 320 H ALA 40 H ALA 40 -8.200 -4.973 -2.412 321 HA ALA 40 HA ALA 40 -10.011 -5.290 -0.120 322 1HB ALA 40 3HB ALA 40 -7.537 -5.972 -0.162 323 2HB ALA 40 2HB ALA 40 -7.179 -4.251 0.001 324 3HB ALA 40 1HB ALA 40 -8.095 -5.085 1.258 325 H LEU 41 H LEU 41 -7.736 -2.643 -0.891 326 HA LEU 41 HA LEU 41 -8.654 -0.629 0.657 327 1HB LEU 41 2HB LEU 41 -7.710 -0.603 -2.170 328 2HB LEU 41 1HB LEU 41 -8.337 0.894 -1.476 329 HG LEU 41 HG LEU 41 -6.370 -0.695 0.120 330 1HD1 LEU 41 1HD1 LEU 41 -5.390 -0.578 -2.151 331 2HD1 LEU 41 3HD1 LEU 41 -5.619 1.173 -2.155 332 3HD1 LEU 41 2HD1 LEU 41 -4.494 0.429 -1.008 333 1HD2 LEU 41 1HD2 LEU 41 -7.666 1.574 0.657 334 2HD2 LEU 41 3HD2 LEU 41 -6.018 1.291 1.213 335 3HD2 LEU 41 2HD2 LEU 41 -6.307 2.264 -0.231 336 H THR 42 H THR 42 -10.014 -1.041 -2.584 337 HA THR 42 HA THR 42 -12.393 0.478 -1.749 338 HB THR 42 HB THR 42 -11.499 0.857 -4.001 339 HG1 THR 42 HG1 THR 42 -13.850 -0.588 -4.451 340 1HG2 THR 42 3HG2 THR 42 -11.644 -2.097 -4.066 341 2HG2 THR 42 2HG2 THR 42 -12.129 -1.279 -5.551 342 3HG2 THR 42 1HG2 THR 42 -10.522 -1.006 -4.878 343 H GLY 43 H GLY 43 -12.337 -1.687 -0.155 344 1HA GLY 43 2HA GLY 43 -14.765 -2.886 -0.197 345 2HA GLY 43 1HA GLY 43 -13.887 -3.878 -1.363 346 H TRP 44 H TRP 44 -12.387 -2.433 1.532 347 HA TRP 44 HA TRP 44 -12.652 -4.773 3.190 348 1HB TRP 44 2HB TRP 44 -11.195 -5.846 1.561 349 2HB TRP 44 1HB TRP 44 -10.066 -4.492 1.636 350 HD1 TRP 44 HD1 TRP 44 -9.047 -4.010 4.207 351 HE1 TRP 44 HE1 TRP 44 -8.242 -5.747 5.933 352 HE3 TRP 44 HE3 TRP 44 -11.390 -8.180 2.422 353 HZ2 TRP 44 HZ2 TRP 44 -8.551 -8.538 6.483 354 HZ3 TRP 44 HZ3 TRP 44 -11.118 -10.362 3.563 355 HH2 TRP 44 HH2 TRP 44 -9.702 -10.547 5.590 356 H VAL 45 H VAL 45 -10.565 -2.098 2.246 357 HA VAL 45 HA VAL 45 -9.543 -1.641 4.922 358 HB VAL 45 HB VAL 45 -9.402 -0.306 2.252 359 1HG1 VAL 45 1HG1 VAL 45 -9.867 1.535 3.829 360 2HG1 VAL 45 3HG1 VAL 45 -8.498 1.020 4.814 361 3HG1 VAL 45 2HG1 VAL 45 -8.230 1.617 3.179 362 1HG2 VAL 45 2HG2 VAL 45 -7.344 -1.140 4.314 363 2HG2 VAL 45 1HG2 VAL 45 -7.793 -2.057 2.875 364 3HG2 VAL 45 3HG2 VAL 45 -6.980 -0.500 2.713 365 H GLU 46 H GLU 46 -9.900 0.599 5.944 366 HA GLU 46 HA GLU 46 -12.767 1.401 5.657 367 1HB GLU 46 2HB GLU 46 -11.285 0.504 7.981 368 2HB GLU 46 1HB GLU 46 -11.884 2.145 8.228 369 1HG GLU 46 2HG GLU 46 -14.036 1.456 8.353 370 2HG GLU 46 1HG GLU 46 -13.858 0.388 6.961 371 H TYR 47 H TYR 47 -12.912 3.426 4.876 372 HA TYR 47 HA TYR 47 -10.602 5.264 5.182 373 1HB TYR 47 2HB TYR 47 -13.100 5.525 3.479 374 2HB TYR 47 1HB TYR 47 -11.657 6.533 3.371 375 HD1 TYR 47 HD2 TYR 47 -9.420 4.700 3.545 376 HD2 TYR 47 HD1 TYR 47 -13.213 4.174 1.582 377 HE1 TYR 47 HE2 TYR 47 -8.394 3.047 2.000 378 HE2 TYR 47 HE1 TYR 47 -12.180 2.532 0.038 379 HH TYR 47 HH TYR 47 -9.880 2.043 -0.836 380 HA PRO 48 HA PRO 48 -10.850 7.689 4.443 381 1HB PRO 48 2HB PRO 48 -9.689 9.627 6.010 382 2HB PRO 48 1HB PRO 48 -11.170 9.865 5.062 383 1HG PRO 48 2HG PRO 48 -10.865 9.449 8.007 384 2HG PRO 48 1HG PRO 48 -12.107 10.351 7.122 385 1HD PRO 48 2HD PRO 48 -12.458 7.791 8.202 386 2HD PRO 48 1HD PRO 48 -13.469 8.507 6.924 387 H LEU 49 H LEU 49 -8.781 7.043 4.084 388 HA LEU 49 HA LEU 49 -7.318 5.811 6.381 389 1HB LEU 49 2HB LEU 49 -7.823 4.076 4.880 390 2HB LEU 49 1HB LEU 49 -7.605 5.109 3.470 391 HG LEU 49 HG LEU 49 -5.115 5.212 4.147 392 1HD1 LEU 49 3HD1 LEU 49 -6.217 3.570 6.255 393 2HD1 LEU 49 2HD1 LEU 49 -5.030 2.643 5.336 394 3HD1 LEU 49 1HD1 LEU 49 -4.571 4.172 6.079 395 1HD2 LEU 49 1HD2 LEU 49 -6.669 3.247 2.730 396 2HD2 LEU 49 3HD2 LEU 49 -5.051 3.856 2.365 397 3HD2 LEU 49 2HD2 LEU 49 -5.257 2.485 3.460 398 H VAL 50 H VAL 50 -4.920 5.971 6.232 399 HA VAL 50 HA VAL 50 -4.031 8.379 4.694 400 HB VAL 50 HB VAL 50 -3.666 7.665 7.582 401 1HG1 VAL 50 1HG1 VAL 50 -1.626 9.197 5.935 402 2HG1 VAL 50 3HG1 VAL 50 -1.669 9.152 7.698 403 3HG1 VAL 50 2HG1 VAL 50 -1.347 7.679 6.787 404 1HG2 VAL 50 2HG2 VAL 50 -5.129 9.525 6.414 405 2HG2 VAL 50 1HG2 VAL 50 -4.274 9.879 7.916 406 3HG2 VAL 50 3HG2 VAL 50 -3.598 10.399 6.372 407 H LEU 51 H LEU 51 -2.897 7.349 3.037 408 HA LEU 51 HA LEU 51 -1.203 5.024 3.672 409 1HB LEU 51 2HB LEU 51 -2.470 5.278 1.479 410 2HB LEU 51 1HB LEU 51 -1.326 6.562 1.071 411 HG LEU 51 HG LEU 51 0.524 4.840 1.543 412 1HD1 LEU 51 1HD1 LEU 51 -1.930 3.182 1.719 413 2HD1 LEU 51 3HD1 LEU 51 -0.532 2.481 0.892 414 3HD1 LEU 51 2HD1 LEU 51 -0.393 3.013 2.577 415 1HD2 LEU 51 2HD2 LEU 51 -1.398 4.676 -0.762 416 2HD2 LEU 51 1HD2 LEU 51 0.192 5.446 -0.707 417 3HD2 LEU 51 3HD2 LEU 51 0.061 3.688 -0.709 418 H GLU 52 H GLU 52 -0.049 6.662 5.264 419 HA GLU 52 HA GLU 52 1.715 8.645 4.184 420 1HB GLU 52 2HB GLU 52 1.315 8.640 6.558 421 2HB GLU 52 1HB GLU 52 1.853 6.965 6.702 422 1HG GLU 52 2HG GLU 52 3.977 7.645 6.986 423 2HG GLU 52 1HG GLU 52 3.928 8.501 5.444 424 H TRP 53 H TRP 53 2.621 7.575 2.259 425 HA TRP 53 HA TRP 53 4.189 5.146 2.644 426 1HB TRP 53 2HB TRP 53 2.918 5.959 0.492 427 2HB TRP 53 1HB TRP 53 4.420 6.839 0.177 428 HD1 TRP 53 HD1 TRP 53 6.687 5.078 0.787 429 HE1 TRP 53 HE1 TRP 53 7.031 2.720 -0.195 430 HE3 TRP 53 HE3 TRP 53 1.905 4.010 -0.636 431 HZ2 TRP 53 HZ2 TRP 53 5.475 0.661 -1.412 432 HZ3 TRP 53 HZ3 TRP 53 1.363 1.852 -1.716 433 HH2 TRP 53 HH2 TRP 53 3.146 0.166 -2.099 434 H ARG 54 H ARG 54 5.772 5.849 4.198 435 HA ARG 54 HA ARG 54 7.454 8.144 3.819 436 1HB ARG 54 2HB ARG 54 8.476 5.702 5.227 437 2HB ARG 54 1HB ARG 54 8.639 7.400 5.677 438 1HG ARG 54 2HG ARG 54 5.890 6.975 5.711 439 2HG ARG 54 1HG ARG 54 6.550 5.487 6.388 440 1HD ARG 54 2HD ARG 54 6.096 7.383 8.052 441 2HD ARG 54 1HD ARG 54 7.702 6.655 8.112 442 HE ARG 54 HE ARG 54 7.578 8.969 6.345 443 1HH1 ARG 54 1HH2 ARG 54 10.073 8.956 7.412 444 2HH1 ARG 54 2HH2 ARG 54 10.019 9.844 8.898 445 1HH2 ARG 54 2HH1 ARG 54 6.572 9.637 9.205 446 2HH2 ARG 54 1HH1 ARG 54 8.038 10.229 9.913 447 H GLN 55 H GLN 55 9.443 8.340 2.777 448 HA GLN 55 HA GLN 55 10.928 7.870 1.001 449 1HB GLN 55 2HB GLN 55 11.094 5.585 2.938 450 2HB GLN 55 1HB GLN 55 12.015 5.502 1.436 451 1HG GLN 55 2HG GLN 55 12.137 7.778 3.437 452 2HG GLN 55 1HG GLN 55 13.352 6.512 3.259 453 1HE2 GLN 55 2HE2 GLN 55 14.690 7.852 0.226 454 2HE2 GLN 55 1HE2 GLN 55 14.552 6.441 1.161 455 H PHE 56 H PHE 56 9.076 7.764 -0.549 456 HA PHE 56 HA PHE 56 8.042 5.120 -1.256 457 1HB PHE 56 2HB PHE 56 6.625 7.102 -1.548 458 2HB PHE 56 1HB PHE 56 7.802 7.799 -2.661 459 HD1 PHE 56 HD1 PHE 56 5.706 4.734 -2.157 460 HD2 PHE 56 HD2 PHE 56 7.646 7.349 -4.959 461 HE1 PHE 56 HE1 PHE 56 4.673 3.493 -4.030 462 HE2 PHE 56 HE2 PHE 56 6.612 6.107 -6.832 463 HZ PHE 56 HZ PHE 56 5.122 4.177 -6.372 464 H GLU 57 H GLU 57 10.870 6.860 -1.946 465 HA GLU 57 HA GLU 57 11.316 6.042 -4.669 466 1HB GLU 57 2HB GLU 57 12.718 7.517 -2.671 467 2HB GLU 57 1HB GLU 57 13.798 6.249 -3.252 468 1HG GLU 57 2HG GLU 57 12.218 7.921 -5.196 469 2HG GLU 57 1HG GLU 57 13.747 8.509 -4.544 470 H GLN 58 H GLN 58 13.216 4.882 -1.879 471 HA GLN 58 HA GLN 58 13.991 2.453 -3.138 472 1HB GLN 58 2HB GLN 58 14.553 1.690 -0.821 473 2HB GLN 58 1HB GLN 58 15.194 3.291 -1.196 474 1HG GLN 58 2HG GLN 58 12.966 4.168 -0.169 475 2HG GLN 58 1HG GLN 58 12.852 2.563 0.552 476 1HE2 GLN 58 2HE2 GLN 58 16.344 3.440 1.974 477 2HE2 GLN 58 1HE2 GLN 58 15.959 2.515 0.605 478 H SER 59 H SER 59 13.372 0.238 -2.072 479 HA SER 59 HA SER 59 11.718 -1.315 -1.400 480 1HB SER 59 2HB SER 59 9.979 -0.561 -0.171 481 2HB SER 59 1HB SER 59 10.691 1.040 -0.381 482 HG SER 59 HG SER 59 8.632 -0.215 -1.862 483 H LYS 60 H LYS 60 10.928 1.122 -3.850 484 HA LYS 60 HA LYS 60 9.124 -0.668 -5.298 485 1HB LYS 60 2HB LYS 60 9.904 2.120 -5.377 486 2HB LYS 60 1HB LYS 60 9.912 1.415 -6.996 487 1HG LYS 60 2HG LYS 60 7.682 1.682 -7.011 488 2HG LYS 60 1HG LYS 60 7.606 0.394 -5.812 489 1HD LYS 60 2HD LYS 60 7.673 3.379 -5.338 490 2HD LYS 60 1HD LYS 60 6.442 2.226 -4.825 491 1HE LYS 60 2HE LYS 60 8.504 1.119 -3.563 492 2HE LYS 60 1HE LYS 60 9.148 2.757 -3.661 493 1HZ LYS 60 3HZ LYS 60 6.421 2.778 -2.873 494 2HZ LYS 60 2HZ LYS 60 7.334 1.800 -1.828 495 3HZ LYS 60 1HZ LYS 60 7.771 3.422 -2.076 496 H GLN 61 H GLN 61 12.526 0.216 -5.481 497 HA GLN 61 HA GLN 61 12.881 -0.893 -8.156 498 1HB GLN 61 2HB GLN 61 14.370 0.762 -6.436 499 2HB GLN 61 1HB GLN 61 15.344 -0.690 -6.675 500 1HG GLN 61 2HG GLN 61 15.881 0.893 -8.437 501 2HG GLN 61 1HG GLN 61 14.989 -0.453 -9.146 502 1HE2 GLN 61 2HE2 GLN 61 12.638 1.778 -10.500 503 2HE2 GLN 61 1HE2 GLN 61 13.594 0.390 -10.702 504 H LEU 62 H LEU 62 14.464 -1.783 -5.167 505 HA LEU 62 HA LEU 62 15.571 -4.183 -5.693 506 1HB LEU 62 2HB LEU 62 14.081 -4.682 -3.300 507 2HB LEU 62 1HB LEU 62 15.792 -4.291 -3.463 508 HG LEU 62 HG LEU 62 15.177 -1.864 -3.541 509 1HD1 LEU 62 1HD1 LEU 62 12.704 -2.610 -4.206 510 2HD1 LEU 62 3HD1 LEU 62 12.481 -2.572 -2.464 511 3HD1 LEU 62 2HD1 LEU 62 12.994 -1.119 -3.322 512 1HD2 LEU 62 3HD2 LEU 62 14.406 -3.557 -1.170 513 2HD2 LEU 62 2HD2 LEU 62 15.886 -2.631 -1.421 514 3HD2 LEU 62 1HD2 LEU 62 14.365 -1.795 -1.105 515 H THR 63 H THR 63 12.130 -3.659 -5.553 516 HA THR 63 HA THR 63 11.632 -6.551 -5.965 517 HB THR 63 HB THR 63 10.258 -5.278 -4.311 518 HG1 THR 63 HG1 THR 63 9.476 -7.112 -5.585 519 1HG2 THR 63 3HG2 THR 63 9.777 -3.624 -6.729 520 2HG2 THR 63 2HG2 THR 63 8.404 -3.885 -5.654 521 3HG2 THR 63 1HG2 THR 63 9.879 -3.145 -5.037 522 H GLU 64 H GLU 64 9.066 -5.359 -7.460 523 HA GLU 64 HA GLU 64 10.303 -4.569 -10.003 524 1HB GLU 64 2HB GLU 64 9.261 -6.416 -11.264 525 2HB GLU 64 1HB GLU 64 10.400 -7.046 -10.074 526 1HG GLU 64 2HG GLU 64 8.731 -8.314 -9.252 527 2HG GLU 64 1HG GLU 64 7.947 -6.830 -8.713 528 H ASN 65 H ASN 65 8.871 -2.805 -8.825 529 HA ASN 65 HA ASN 65 6.994 -1.423 -9.234 530 1HB ASN 65 2HB ASN 65 6.917 -3.263 -11.352 531 2HB ASN 65 1HB ASN 65 5.309 -3.326 -10.632 532 1HD2 ASN 65 2HD2 ASN 65 4.380 -0.126 -11.803 533 2HD2 ASN 65 1HD2 ASN 65 3.921 -1.520 -10.950 534 H GLY 66 H GLY 66 7.338 -3.615 -7.142 535 1HA GLY 66 2HA GLY 66 4.682 -4.614 -6.564 536 2HA GLY 66 1HA GLY 66 6.062 -4.651 -5.461 537 H ALA 67 H ALA 67 6.649 -1.918 -5.250 538 HA ALA 67 HA ALA 67 4.457 -1.075 -3.502 539 1HB ALA 67 3HB ALA 67 7.224 -0.131 -4.101 540 2HB ALA 67 2HB ALA 67 6.087 1.038 -3.433 541 3HB ALA 67 1HB ALA 67 6.457 -0.440 -2.547 542 H GLU 68 H GLU 68 5.908 0.110 -6.537 543 HA GLU 68 HA GLU 68 4.337 2.426 -6.828 544 1HB GLU 68 2HB GLU 68 5.848 0.642 -8.652 545 2HB GLU 68 1HB GLU 68 4.611 1.648 -9.408 546 1HG GLU 68 2HG GLU 68 6.226 3.103 -7.438 547 2HG GLU 68 1HG GLU 68 7.179 2.472 -8.782 548 H SER 69 H SER 69 3.471 -0.919 -7.120 549 HA SER 69 HA SER 69 1.031 -0.350 -8.656 550 1HB SER 69 2HB SER 69 1.202 -2.546 -9.139 551 2HB SER 69 1HB SER 69 2.596 -2.660 -8.074 552 HG SER 69 HG SER 69 -0.145 -2.940 -7.383 553 H VAL 70 H VAL 70 1.690 -1.610 -5.343 554 HA VAL 70 HA VAL 70 -0.942 -1.565 -4.404 555 HB VAL 70 HB VAL 70 1.611 -0.761 -2.960 556 1HG1 VAL 70 3HG1 VAL 70 -1.073 -0.306 -2.163 557 2HG1 VAL 70 2HG1 VAL 70 -0.494 -1.665 -1.206 558 3HG1 VAL 70 1HG1 VAL 70 0.378 -0.132 -1.177 559 1HG2 VAL 70 2HG2 VAL 70 0.460 -3.286 -3.734 560 2HG2 VAL 70 1HG2 VAL 70 1.966 -2.990 -2.865 561 3HG2 VAL 70 3HG2 VAL 70 0.455 -3.171 -1.974 562 H LEU 71 H LEU 71 1.316 0.940 -5.145 563 HA LEU 71 HA LEU 71 -0.240 2.983 -3.844 564 1HB LEU 71 2HB LEU 71 2.284 3.044 -4.222 565 2HB LEU 71 1HB LEU 71 1.914 3.439 -5.902 566 HG LEU 71 HG LEU 71 0.800 5.448 -5.290 567 1HD1 LEU 71 3HD1 LEU 71 0.668 4.123 -2.629 568 2HD1 LEU 71 2HD1 LEU 71 0.791 5.889 -2.642 569 3HD1 LEU 71 1HD1 LEU 71 -0.555 5.089 -3.470 570 1HD2 LEU 71 1HD2 LEU 71 3.366 5.319 -5.051 571 2HD2 LEU 71 3HD2 LEU 71 2.552 6.696 -4.314 572 3HD2 LEU 71 2HD2 LEU 71 3.072 5.343 -3.312 573 H GLN 72 H GLN 72 0.280 1.972 -7.247 574 HA GLN 72 HA GLN 72 -1.277 3.996 -8.441 575 1HB GLN 72 2HB GLN 72 -0.815 1.100 -9.120 576 2HB GLN 72 1HB GLN 72 -1.964 2.050 -10.063 577 1HG GLN 72 2HG GLN 72 -0.306 3.536 -10.822 578 2HG GLN 72 1HG GLN 72 0.813 3.091 -9.532 579 1HE2 GLN 72 2HE2 GLN 72 0.623 0.814 -12.922 580 2HE2 GLN 72 1HE2 GLN 72 -0.524 2.035 -12.648 581 H VAL 73 H VAL 73 -2.168 1.234 -6.569 582 HA VAL 73 HA VAL 73 -5.035 1.498 -7.116 583 HB VAL 73 HB VAL 73 -3.506 -0.213 -5.145 584 1HG1 VAL 73 3HG1 VAL 73 -5.933 0.346 -4.579 585 2HG1 VAL 73 2HG1 VAL 73 -6.360 -0.511 -6.058 586 3HG1 VAL 73 1HG1 VAL 73 -5.553 -1.368 -4.749 587 1HG2 VAL 73 3HG2 VAL 73 -3.908 -0.333 -7.962 588 2HG2 VAL 73 2HG2 VAL 73 -3.128 -1.527 -6.921 589 3HG2 VAL 73 1HG2 VAL 73 -4.867 -1.627 -7.233 590 H PHE 74 H PHE 74 -2.902 2.129 -4.298 591 HA PHE 74 HA PHE 74 -4.859 2.901 -2.482 592 1HB PHE 74 2HB PHE 74 -1.982 3.456 -2.891 593 2HB PHE 74 1HB PHE 74 -2.847 4.655 -1.945 594 HD1 PHE 74 HD1 PHE 74 -4.496 3.681 -0.107 595 HD2 PHE 74 HD2 PHE 74 -1.176 1.553 -1.809 596 HE1 PHE 74 HE1 PHE 74 -4.509 2.102 1.791 597 HE2 PHE 74 HE2 PHE 74 -1.202 -0.012 0.116 598 HZ PHE 74 HZ PHE 74 -2.887 0.272 1.902 599 H ARG 75 H ARG 75 -3.053 4.860 -4.811 600 HA ARG 75 HA ARG 75 -4.556 7.267 -4.475 601 1HB ARG 75 2HB ARG 75 -2.707 6.163 -6.545 602 2HB ARG 75 1HB ARG 75 -3.731 7.521 -7.008 603 1HG ARG 75 2HG ARG 75 -2.586 8.985 -5.704 604 2HG ARG 75 1HG ARG 75 -2.442 7.831 -4.379 605 1HD ARG 75 2HD ARG 75 -0.262 7.667 -4.972 606 2HD ARG 75 1HD ARG 75 -0.840 6.715 -6.340 607 HE ARG 75 HE ARG 75 0.386 9.256 -6.573 608 1HH1 ARG 75 1HH2 ARG 75 -0.971 7.070 -8.527 609 2HH1 ARG 75 2HH2 ARG 75 -1.797 8.170 -9.580 610 1HH2 ARG 75 2HH1 ARG 75 -1.316 10.917 -7.519 611 2HH2 ARG 75 1HH1 ARG 75 -1.992 10.349 -9.009 612 H GLU 76 H GLU 76 -4.923 4.506 -6.769 613 HA GLU 76 HA GLU 76 -7.024 5.535 -8.338 614 1HB GLU 76 2HB GLU 76 -6.414 2.759 -7.338 615 2HB GLU 76 1HB GLU 76 -7.857 3.068 -8.302 616 1HG GLU 76 2HG GLU 76 -5.281 4.176 -9.300 617 2HG GLU 76 1HG GLU 76 -5.525 2.435 -9.430 618 H ALA 77 H ALA 77 -7.071 4.327 -5.060 619 HA ALA 77 HA ALA 77 -9.992 4.319 -4.873 620 1HB ALA 77 3HB ALA 77 -8.015 3.052 -3.476 621 2HB ALA 77 2HB ALA 77 -8.354 4.409 -2.410 622 3HB ALA 77 1HB ALA 77 -9.645 3.296 -2.845 623 H LYS 78 H LYS 78 -7.325 6.390 -3.732 624 HA LYS 78 HA LYS 78 -9.287 8.392 -2.794 625 1HB LYS 78 2HB LYS 78 -7.621 8.579 -1.253 626 2HB LYS 78 1HB LYS 78 -6.466 7.757 -2.283 627 1HG LYS 78 2HG LYS 78 -5.720 10.030 -1.759 628 2HG LYS 78 1HG LYS 78 -6.008 9.860 -3.477 629 1HD LYS 78 2HD LYS 78 -7.063 11.827 -1.753 630 2HD LYS 78 1HD LYS 78 -7.516 11.554 -3.428 631 1HE LYS 78 2HE LYS 78 -9.395 10.253 -2.828 632 2HE LYS 78 1HE LYS 78 -8.789 9.965 -1.199 633 1HZ LYS 78 2HZ LYS 78 -9.188 12.742 -1.946 634 2HZ LYS 78 1HZ LYS 78 -10.599 11.812 -1.773 635 3HZ LYS 78 3HZ LYS 78 -9.514 11.952 -0.478 636 H ALA 79 H ALA 79 -9.657 7.909 -5.346 637 HA ALA 79 HA ALA 79 -8.969 10.409 -6.720 638 1HB ALA 79 1HB ALA 79 -7.147 8.598 -7.187 639 2HB ALA 79 3HB ALA 79 -8.420 7.775 -8.098 640 3HB ALA 79 2HB ALA 79 -7.889 9.392 -8.578 641 H GLU 80 H GLU 80 -10.275 7.152 -6.943 642 HA GLU 80 HA GLU 80 -12.366 7.932 -8.832 643 1HB GLU 80 2HB GLU 80 -12.059 5.327 -7.317 644 2HB GLU 80 1HB GLU 80 -12.910 5.602 -8.832 645 1HG GLU 80 2HG GLU 80 -10.077 6.413 -8.860 646 2HG GLU 80 1HG GLU 80 -10.352 4.680 -8.687 647 H GLY 81 H GLY 81 -12.245 6.751 -5.439 648 1HA GLY 81 2HA GLY 81 -14.499 8.459 -4.732 649 2HA GLY 81 1HA GLY 81 -14.946 6.751 -4.807 650 H ALA 82 H ALA 82 -12.478 5.672 -3.847 651 HA ALA 82 HA ALA 82 -12.854 5.477 -1.130 652 1HB ALA 82 1HB ALA 82 -10.896 4.657 -2.910 653 2HB ALA 82 3HB ALA 82 -10.001 5.644 -1.752 654 3HB ALA 82 2HB ALA 82 -10.951 4.265 -1.192 655 H ASP 83 H ASP 83 -11.972 6.525 0.724 656 HA ASP 83 HA ASP 83 -11.209 9.374 0.242 657 1HB ASP 83 2HB ASP 83 -12.684 7.964 2.451 658 2HB ASP 83 1HB ASP 83 -11.812 9.454 2.813 659 H ILE 84 H ILE 84 -9.080 7.970 -0.208 660 HA ILE 84 HA ILE 84 -7.657 7.498 2.361 661 HB ILE 84 HB ILE 84 -7.098 6.652 -0.490 662 1HG1 ILE 84 2HG1 ILE 84 -7.140 4.737 1.739 663 2HG1 ILE 84 1HG1 ILE 84 -8.677 5.550 1.447 664 1HG2 ILE 84 2HG2 ILE 84 -4.987 7.283 0.737 665 2HG2 ILE 84 1HG2 ILE 84 -5.425 6.104 1.978 666 3HG2 ILE 84 3HG2 ILE 84 -5.080 5.567 0.331 667 1HD1 ILE 84 1HD1 ILE 84 -7.203 4.544 -0.933 668 2HD1 ILE 84 3HD1 ILE 84 -7.954 3.339 0.113 669 3HD1 ILE 84 2HD1 ILE 84 -8.940 4.602 -0.625 670 H THR 85 H THR 85 -5.436 8.316 2.534 671 HA THR 85 HA THR 85 -5.023 10.836 0.981 672 HB THR 85 HB THR 85 -4.212 10.281 3.854 673 HG1 THR 85 HG1 THR 85 -6.246 10.731 4.140 674 1HG2 THR 85 1HG2 THR 85 -2.749 11.849 2.587 675 2HG2 THR 85 3HG2 THR 85 -4.165 12.840 2.231 676 3HG2 THR 85 2HG2 THR 85 -3.619 12.646 3.897 677 H ILE 86 H ILE 86 -3.625 9.858 -0.530 678 HA ILE 86 HA ILE 86 -1.450 8.158 0.351 679 HB ILE 86 HB ILE 86 -2.541 9.112 -2.211 680 1HG1 ILE 86 2HG1 ILE 86 -2.155 6.823 -2.839 681 2HG1 ILE 86 1HG1 ILE 86 -1.014 6.592 -1.519 682 1HG2 ILE 86 1HG2 ILE 86 -0.190 10.023 -2.286 683 2HG2 ILE 86 3HG2 ILE 86 0.397 8.375 -2.062 684 3HG2 ILE 86 2HG2 ILE 86 -0.520 8.796 -3.508 685 1HD1 ILE 86 2HD1 ILE 86 -3.369 7.467 -0.267 686 2HD1 ILE 86 1HD1 ILE 86 -3.911 6.341 -1.507 687 3HD1 ILE 86 3HD1 ILE 86 -2.747 5.817 -0.290 688 H ILE 87 H ILE 87 0.345 8.872 1.302 689 HA ILE 87 HA ILE 87 1.001 11.741 1.207 690 HB ILE 87 HB ILE 87 2.255 9.372 2.601 691 1HG1 ILE 87 2HG1 ILE 87 1.467 10.552 4.613 692 2HG1 ILE 87 1HG1 ILE 87 0.863 11.873 3.613 693 1HG2 ILE 87 3HG2 ILE 87 3.450 11.918 1.912 694 2HG2 ILE 87 2HG2 ILE 87 3.296 11.765 3.662 695 3HG2 ILE 87 1HG2 ILE 87 4.175 10.543 2.745 696 1HD1 ILE 87 2HD1 ILE 87 -0.055 9.048 3.123 697 2HD1 ILE 87 1HD1 ILE 87 -0.815 10.033 4.374 698 3HD1 ILE 87 3HD1 ILE 87 -0.854 10.560 2.692 699 H LEU 88 H LEU 88 2.926 8.794 0.513 700 HA LEU 88 HA LEU 88 4.577 8.435 -1.117 701 1HB LEU 88 2HB LEU 88 2.822 10.516 -2.302 702 2HB LEU 88 1HB LEU 88 4.437 10.381 -2.998 703 HG LEU 88 HG LEU 88 2.597 8.016 -2.573 704 1HD1 LEU 88 3HD1 LEU 88 2.067 10.012 -4.330 705 2HD1 LEU 88 2HD1 LEU 88 3.159 9.028 -5.305 706 3HD1 LEU 88 1HD1 LEU 88 1.684 8.319 -4.647 707 1HD2 LEU 88 1HD2 LEU 88 5.327 8.468 -3.685 708 2HD2 LEU 88 3HD2 LEU 88 4.685 7.074 -2.814 709 3HD2 LEU 88 2HD2 LEU 88 4.305 7.300 -4.523 710 H SER 89 HN SER 89 5.301 9.829 1.212 711 HA SER 89 HA SER 89 7.163 11.030 2.001 712 1HB SER 89 2HB SER 89 7.900 10.186 -0.565 713 2HB SER 89 1HB SER 89 8.231 11.920 -0.557 714 HG SER 89 HG SER 89 9.772 10.138 0.405 No H/Q in entry = 714 Start of MODEL 14 1 1H LYS 1 1H LYS 1 -8.281 4.551 7.445 2 2H LYS 1 3H LYS 1 -9.257 3.986 8.712 3 3H LYS 1 2H LYS 1 -8.577 5.541 8.794 4 HA LYS 1 HA LYS 1 -7.341 4.083 10.221 5 1HB LYS 1 2HB LYS 1 -7.649 2.320 7.886 6 2HB LYS 1 1HB LYS 1 -6.019 2.323 8.562 7 1HG LYS 1 2HG LYS 1 -8.538 1.928 10.202 8 2HG LYS 1 1HG LYS 1 -7.525 0.611 9.610 9 1HD LYS 1 2HD LYS 1 -5.917 0.984 11.170 10 2HD LYS 1 1HD LYS 1 -6.038 2.736 11.007 11 1HE LYS 1 2HE LYS 1 -6.801 2.242 13.215 12 2HE LYS 1 1HE LYS 1 -8.254 2.564 12.267 13 1HZ LYS 1 3HZ LYS 1 -8.227 0.045 11.862 14 2HZ LYS 1 2HZ LYS 1 -7.192 -0.021 13.207 15 3HZ LYS 1 1HZ LYS 1 -8.760 0.613 13.369 16 H LYS 2 H LYS 2 -4.796 3.689 9.877 17 HA LYS 2 HA LYS 2 -3.787 5.765 7.987 18 1HB LYS 2 2HB LYS 2 -3.722 6.956 10.010 19 2HB LYS 2 1HB LYS 2 -3.316 5.522 10.951 20 1HG LYS 2 2HG LYS 2 -1.084 5.476 9.785 21 2HG LYS 2 1HG LYS 2 -1.502 7.015 9.035 22 1HD LYS 2 2HD LYS 2 -2.059 7.424 11.731 23 2HD LYS 2 1HD LYS 2 -0.574 6.473 11.749 24 1HE LYS 2 2HE LYS 2 0.662 8.136 10.788 25 2HE LYS 2 1HE LYS 2 -0.664 8.659 9.750 26 1HZ LYS 2 2HZ LYS 2 -1.720 9.526 11.859 27 2HZ LYS 2 1HZ LYS 2 -0.206 9.308 12.599 28 3HZ LYS 2 3HZ LYS 2 -0.363 10.376 11.290 29 H ALA 3 H ALA 3 -2.780 4.375 6.567 30 HA ALA 3 HA ALA 3 -1.099 2.184 7.615 31 1HB ALA 3 1HB ALA 3 -2.665 2.351 5.385 32 2HB ALA 3 3HB ALA 3 -1.091 2.776 4.714 33 3HB ALA 3 2HB ALA 3 -1.308 1.235 5.546 34 H VAL 4 H VAL 4 1.166 2.168 7.374 35 HA VAL 4 HA VAL 4 2.381 4.655 6.270 36 HB VAL 4 HB VAL 4 3.104 3.312 8.894 37 1HG1 VAL 4 2HG1 VAL 4 4.786 4.655 7.136 38 2HG1 VAL 4 1HG1 VAL 4 4.303 5.909 8.279 39 3HG1 VAL 4 3HG1 VAL 4 5.069 4.431 8.864 40 1HG2 VAL 4 2HG2 VAL 4 1.232 5.373 8.211 41 2HG2 VAL 4 1HG2 VAL 4 1.651 4.767 9.814 42 3HG2 VAL 4 3HG2 VAL 4 2.560 6.106 9.111 43 H ILE 5 H ILE 5 3.862 4.141 4.779 44 HA ILE 5 HA ILE 5 4.920 1.371 4.693 45 HB ILE 5 HB ILE 5 5.316 3.552 2.640 46 1HG1 ILE 5 2HG1 ILE 5 2.842 3.000 3.388 47 2HG1 ILE 5 1HG1 ILE 5 3.231 3.131 1.684 48 1HG2 ILE 5 3HG2 ILE 5 5.902 0.690 2.863 49 2HG2 ILE 5 2HG2 ILE 5 5.039 1.102 1.381 50 3HG2 ILE 5 1HG2 ILE 5 6.569 1.894 1.760 51 1HD1 ILE 5 2HD1 ILE 5 3.659 0.434 2.746 52 2HD1 ILE 5 1HD1 ILE 5 1.987 0.979 2.872 53 3HD1 ILE 5 3HD1 ILE 5 2.786 0.953 1.301 54 H ASN 6 H ASN 6 6.716 1.181 5.923 55 HA ASN 6 HA ASN 6 8.705 3.401 5.855 56 1HB ASN 6 2HB ASN 6 8.965 1.130 7.770 57 2HB ASN 6 1HB ASN 6 9.318 2.845 8.013 58 1HD2 ASN 6 2HD2 ASN 6 6.130 1.838 9.824 59 2HD2 ASN 6 1HD2 ASN 6 7.693 1.174 9.815 60 H GLY 7 H GLY 7 9.699 2.774 3.875 61 1HA GLY 7 2HA GLY 7 10.526 0.083 3.320 62 2HA GLY 7 1HA GLY 7 11.138 1.527 2.504 63 H GLU 8 H GLU 8 11.655 2.384 5.527 64 HA GLU 8 HA GLU 8 14.462 1.819 5.452 65 1HB GLU 8 2HB GLU 8 13.196 3.733 6.684 66 2HB GLU 8 1HB GLU 8 12.993 2.549 7.977 67 1HG GLU 8 2HG GLU 8 15.003 3.563 8.590 68 2HG GLU 8 1HG GLU 8 15.577 2.180 7.657 69 H GLN 9 H GLN 9 11.757 0.054 6.511 70 HA GLN 9 HA GLN 9 13.530 -1.876 7.938 71 1HB GLN 9 2HB GLN 9 11.827 -0.833 9.418 72 2HB GLN 9 1HB GLN 9 10.560 -1.422 8.340 73 1HG GLN 9 2HG GLN 9 11.477 -3.760 8.716 74 2HG GLN 9 1HG GLN 9 12.487 -3.073 9.990 75 1HE2 GLN 9 2HE2 GLN 9 8.413 -3.195 10.568 76 2HE2 GLN 9 1HE2 GLN 9 9.022 -3.191 8.983 77 H ILE 10 H ILE 10 11.277 -1.352 5.401 78 HA ILE 10 HA ILE 10 10.561 -4.120 4.947 79 HB ILE 10 HB ILE 10 10.585 -1.808 2.984 80 1HG1 ILE 10 2HG1 ILE 10 9.230 -1.458 5.092 81 2HG1 ILE 10 1HG1 ILE 10 8.279 -1.444 3.608 82 1HG2 ILE 10 1HG2 ILE 10 9.456 -4.596 2.951 83 2HG2 ILE 10 3HG2 ILE 10 8.653 -3.313 2.046 84 3HG2 ILE 10 2HG2 ILE 10 10.326 -3.736 1.680 85 1HD1 ILE 10 1HD1 ILE 10 7.888 -3.947 4.026 86 2HD1 ILE 10 3HD1 ILE 10 8.523 -3.661 5.646 87 3HD1 ILE 10 2HD1 ILE 10 7.062 -2.830 5.111 88 H ARG 11 H ARG 11 12.150 -5.562 4.531 89 HA ARG 11 HA ARG 11 14.651 -4.804 3.216 90 1HB ARG 11 2HB ARG 11 13.907 -7.678 3.305 91 2HB ARG 11 1HB ARG 11 15.398 -6.886 3.821 92 1HG ARG 11 2HG ARG 11 14.034 -5.941 5.773 93 2HG ARG 11 1HG ARG 11 12.792 -7.111 5.318 94 1HD ARG 11 2HD ARG 11 14.221 -8.084 7.048 95 2HD ARG 11 1HD ARG 11 14.484 -8.933 5.525 96 HE ARG 11 HE ARG 11 16.701 -8.137 5.548 97 1HH1 ARG 11 1HH2 ARG 11 15.892 -5.221 5.663 98 2HH1 ARG 11 2HH2 ARG 11 16.637 -4.715 7.143 99 1HH2 ARG 11 2HH1 ARG 11 17.141 -7.943 8.304 100 2HH2 ARG 11 1HH1 ARG 11 17.343 -6.256 8.639 101 H SER 12 H SER 12 11.775 -6.674 2.369 102 HA SER 12 HA SER 12 12.327 -6.104 -0.501 103 1HB SER 12 2HB SER 12 12.005 -8.388 -1.163 104 2HB SER 12 1HB SER 12 13.193 -8.412 0.137 105 HG SER 12 HG SER 12 11.324 -8.767 1.553 106 H ILE 13 H ILE 13 10.283 -6.854 -1.813 107 HA ILE 13 HA ILE 13 8.038 -5.420 -0.872 108 HB ILE 13 HB ILE 13 8.539 -6.254 -3.257 109 1HG1 ILE 13 2HG1 ILE 13 6.142 -6.310 -3.829 110 2HG1 ILE 13 1HG1 ILE 13 5.740 -6.597 -2.135 111 1HG2 ILE 13 1HG2 ILE 13 8.772 -8.647 -2.600 112 2HG2 ILE 13 3HG2 ILE 13 7.055 -8.677 -2.198 113 3HG2 ILE 13 2HG2 ILE 13 7.567 -8.409 -3.865 114 1HD1 ILE 13 3HD1 ILE 13 7.309 -4.182 -3.064 115 2HD1 ILE 13 2HD1 ILE 13 5.553 -4.178 -2.903 116 3HD1 ILE 13 1HD1 ILE 13 6.568 -4.443 -1.486 117 H SER 14 H SER 14 9.166 -8.559 -0.021 118 HA SER 14 HA SER 14 6.722 -9.813 0.745 119 1HB SER 14 2HB SER 14 9.543 -10.288 1.092 120 2HB SER 14 1HB SER 14 8.715 -10.549 2.624 121 HG SER 14 HG SER 14 8.609 -12.441 1.457 122 H ASP 15 H ASP 15 8.920 -7.662 2.554 123 HA ASP 15 HA ASP 15 7.293 -7.723 4.951 124 1HB ASP 15 2HB ASP 15 9.786 -6.496 4.054 125 2HB ASP 15 1HB ASP 15 8.828 -5.401 5.043 126 H LEU 16 H LEU 16 7.288 -5.965 2.004 127 HA LEU 16 HA LEU 16 5.839 -3.632 2.830 128 1HB LEU 16 2HB LEU 16 7.021 -4.018 0.602 129 2HB LEU 16 1HB LEU 16 5.639 -5.001 0.138 130 HG LEU 16 HG LEU 16 4.377 -3.177 -0.317 131 1HD1 LEU 16 2HD1 LEU 16 5.471 -1.915 2.219 132 2HD1 LEU 16 1HD1 LEU 16 4.238 -1.186 1.193 133 3HD1 LEU 16 3HD1 LEU 16 3.904 -2.701 2.030 134 1HD2 LEU 16 2HD2 LEU 16 6.810 -2.609 -1.058 135 2HD2 LEU 16 1HD2 LEU 16 5.593 -1.334 -1.082 136 3HD2 LEU 16 3HD2 LEU 16 6.747 -1.426 0.249 137 H HIS 17 H HIS 17 4.740 -6.682 1.320 138 HA HIS 17 HA HIS 17 1.963 -6.192 1.466 139 1HB HIS 17 2HB HIS 17 3.472 -8.803 1.753 140 2HB HIS 17 1HB HIS 17 1.738 -8.676 1.440 141 HD1 HIS 17 HD1 HIS 17 1.789 -9.664 -0.920 142 HD2 HIS 17 HD2 HIS 17 4.368 -6.417 -0.476 143 HE1 HIS 17 HE1 HIS 17 2.596 -9.067 -3.243 144 H GLN 18 H GLN 18 4.254 -6.934 3.920 145 HA GLN 18 HA GLN 18 2.267 -7.802 5.877 146 1HB GLN 18 2HB GLN 18 5.162 -6.991 6.246 147 2HB GLN 18 1HB GLN 18 4.153 -7.760 7.472 148 1HG GLN 18 2HG GLN 18 3.777 -9.594 5.643 149 2HG GLN 18 1HG GLN 18 5.241 -8.924 4.922 150 1HE2 GLN 18 2HE2 GLN 18 7.348 -10.548 7.220 151 2HE2 GLN 18 1HE2 GLN 18 7.182 -9.740 5.736 152 H THR 19 H THR 19 3.958 -4.872 5.039 153 HA THR 19 HA THR 19 3.080 -3.371 7.345 154 HB THR 19 HB THR 19 4.169 -2.564 4.648 155 HG1 THR 19 HG1 THR 19 5.580 -3.445 6.223 156 1HG2 THR 19 2HG2 THR 19 2.641 -0.957 6.498 157 2HG2 THR 19 1HG2 THR 19 4.300 -0.366 6.411 158 3HG2 THR 19 3HG2 THR 19 3.333 -0.499 4.942 159 H LEU 20 H LEU 20 1.833 -3.826 4.112 160 HA LEU 20 HA LEU 20 -0.412 -1.993 4.538 161 1HB LEU 20 2HB LEU 20 -0.475 -4.089 2.408 162 2HB LEU 20 1HB LEU 20 -1.011 -2.407 2.334 163 HG LEU 20 HG LEU 20 1.844 -3.379 2.391 164 1HD1 LEU 20 2HD1 LEU 20 -0.021 -2.434 0.267 165 2HD1 LEU 20 1HD1 LEU 20 1.663 -1.917 0.155 166 3HD1 LEU 20 3HD1 LEU 20 1.266 -3.636 0.175 167 1HD2 LEU 20 2HD2 LEU 20 1.037 -1.098 3.548 168 2HD2 LEU 20 1HD2 LEU 20 2.554 -1.200 2.655 169 3HD2 LEU 20 3HD2 LEU 20 1.118 -0.535 1.879 170 H LYS 21 H LYS 21 0.276 -5.417 4.663 171 HA LYS 21 HA LYS 21 -2.464 -6.259 5.123 172 1HB LYS 21 2HB LYS 21 -0.851 -7.882 4.312 173 2HB LYS 21 1HB LYS 21 0.207 -7.580 5.694 174 1HG LYS 21 2HG LYS 21 -0.994 -8.943 7.049 175 2HG LYS 21 1HG LYS 21 -2.533 -8.306 6.465 176 1HD LYS 21 2HD LYS 21 -2.732 -9.902 4.835 177 2HD LYS 21 1HD LYS 21 -0.993 -9.979 4.551 178 1HE LYS 21 2HE LYS 21 -1.791 -10.907 7.224 179 2HE LYS 21 1HE LYS 21 -2.449 -11.883 5.910 180 1HZ LYS 21 2HZ LYS 21 0.247 -11.241 5.375 181 2HZ LYS 21 1HZ LYS 21 0.130 -11.936 6.921 182 3HZ LYS 21 3HZ LYS 21 -0.466 -12.770 5.571 183 H LYS 22 H LYS 22 0.043 -4.848 7.025 184 HA LYS 22 HA LYS 22 -1.114 -5.713 9.590 185 1HB LYS 22 2HB LYS 22 1.199 -5.533 9.787 186 2HB LYS 22 1HB LYS 22 1.285 -4.133 8.721 187 1HG LYS 22 2HG LYS 22 0.240 -2.736 10.465 188 2HG LYS 22 1HG LYS 22 0.161 -4.135 11.539 189 1HD LYS 22 2HD LYS 22 2.250 -3.673 12.235 190 2HD LYS 22 1HD LYS 22 2.831 -3.994 10.600 191 1HE LYS 22 2HE LYS 22 3.539 -1.769 11.115 192 2HE LYS 22 1HE LYS 22 2.155 -1.596 10.035 193 1HZ LYS 22 2HZ LYS 22 1.545 -1.737 12.869 194 2HZ LYS 22 1HZ LYS 22 2.362 -0.336 12.363 195 3HZ LYS 22 3HZ LYS 22 0.875 -0.751 11.659 196 H GLU 23 H GLU 23 -0.896 -2.727 7.639 197 HA GLU 23 HA GLU 23 -2.348 -1.172 9.630 198 1HB GLU 23 2HB GLU 23 -1.709 -0.586 6.730 199 2HB GLU 23 1HB GLU 23 -2.394 0.576 7.867 200 1HG GLU 23 2HG GLU 23 0.168 -0.871 8.510 201 2HG GLU 23 1HG GLU 23 0.180 0.585 7.515 202 H LEU 24 H LEU 24 -3.122 -2.318 6.393 203 HA LEU 24 HA LEU 24 -5.935 -1.673 6.633 204 1HB LEU 24 2HB LEU 24 -4.711 -3.621 4.673 205 2HB LEU 24 1HB LEU 24 -6.153 -2.627 4.462 206 HG LEU 24 HG LEU 24 -3.476 -1.343 4.963 207 1HD1 LEU 24 1HD1 LEU 24 -4.140 -2.947 2.701 208 2HD1 LEU 24 3HD1 LEU 24 -4.117 -1.258 2.193 209 3HD1 LEU 24 2HD1 LEU 24 -2.698 -1.967 2.968 210 1HD2 LEU 24 2HD2 LEU 24 -6.168 -0.492 4.486 211 2HD2 LEU 24 1HD2 LEU 24 -4.741 0.493 4.805 212 3HD2 LEU 24 3HD2 LEU 24 -5.156 0.052 3.148 213 H ALA 25 H ALA 25 -3.947 -4.377 7.514 214 HA ALA 25 HA ALA 25 -4.515 -6.334 8.686 215 1HB ALA 25 3HB ALA 25 -6.510 -4.480 9.351 216 2HB ALA 25 2HB ALA 25 -7.389 -5.929 8.861 217 3HB ALA 25 1HB ALA 25 -6.196 -6.016 10.158 218 H LEU 26 H LEU 26 -4.249 -6.636 6.040 219 HA LEU 26 HA LEU 26 -6.654 -7.748 4.803 220 1HB LEU 26 2HB LEU 26 -3.803 -8.071 3.840 221 2HB LEU 26 1HB LEU 26 -5.282 -8.075 2.878 222 HG LEU 26 HG LEU 26 -4.279 -5.684 4.444 223 1HD1 LEU 26 1HD1 LEU 26 -3.069 -6.636 2.240 224 2HD1 LEU 26 3HD1 LEU 26 -4.361 -5.717 1.470 225 3HD1 LEU 26 2HD1 LEU 26 -3.230 -4.910 2.556 226 1HD2 LEU 26 3HD2 LEU 26 -6.815 -6.343 3.349 227 2HD2 LEU 26 2HD2 LEU 26 -6.299 -4.787 4.000 228 3HD2 LEU 26 1HD2 LEU 26 -6.103 -5.132 2.281 229 HA PRO 27 HA PRO 27 -6.164 -11.925 6.031 230 1HB PRO 27 2HB PRO 27 -6.910 -13.263 3.750 231 2HB PRO 27 1HB PRO 27 -8.051 -12.413 4.812 232 1HG PRO 27 2HG PRO 27 -7.010 -11.598 2.140 233 2HG PRO 27 1HG PRO 27 -8.543 -11.179 2.920 234 1HD PRO 27 2HD PRO 27 -6.268 -9.522 2.737 235 2HD PRO 27 1HD PRO 27 -7.665 -9.253 3.801 236 H GLU 28 H GLU 28 -5.418 -14.187 4.678 237 HA GLU 28 HA GLU 28 -2.530 -13.856 4.493 238 1HB GLU 28 2HB GLU 28 -3.383 -15.861 5.531 239 2HB GLU 28 1HB GLU 28 -4.347 -16.247 4.104 240 1HG GLU 28 2HG GLU 28 -2.376 -17.619 3.998 241 2HG GLU 28 1HG GLU 28 -2.175 -16.345 2.795 242 H TYR 29 H TYR 29 -5.016 -15.027 2.168 243 HA TYR 29 HA TYR 29 -3.213 -15.226 -0.024 244 1HB TYR 29 2HB TYR 29 -5.079 -15.612 -1.368 245 2HB TYR 29 1HB TYR 29 -5.688 -16.059 0.227 246 HD1 TYR 29 HD2 TYR 29 -6.867 -14.190 1.599 247 HD2 TYR 29 HD1 TYR 29 -6.182 -13.969 -2.636 248 HE1 TYR 29 HE2 TYR 29 -8.660 -12.486 1.394 249 HE2 TYR 29 HE1 TYR 29 -7.971 -12.267 -2.838 250 HH TYR 29 HH TYR 29 -9.311 -10.682 -0.138 251 H TYR 30 H TYR 30 -4.368 -12.495 1.580 252 HA TYR 30 HA TYR 30 -4.819 -10.455 -0.150 253 1HB TYR 30 2HB TYR 30 -4.551 -9.739 2.054 254 2HB TYR 30 1HB TYR 30 -3.029 -10.601 2.259 255 HD1 TYR 30 HD1 TYR 30 -4.294 -8.082 -0.233 256 HD2 TYR 30 HD2 TYR 30 -1.260 -9.133 2.623 257 HE1 TYR 30 HE1 TYR 30 -3.038 -6.021 -0.806 258 HE2 TYR 30 HE2 TYR 30 -0.005 -7.073 2.048 259 HH TYR 30 HH TYR 30 0.104 -5.298 0.720 260 H GLY 31 H GLY 31 -3.670 -9.191 -1.622 261 1HA GLY 31 2HA GLY 31 -0.873 -9.987 -2.236 262 2HA GLY 31 1HA GLY 31 -2.073 -9.951 -3.535 263 H GLU 32 H GLU 32 0.397 -8.194 -2.558 264 HA GLU 32 HA GLU 32 -0.801 -5.567 -2.255 265 1HB GLU 32 2HB GLU 32 1.304 -4.914 -1.730 266 2HB GLU 32 1HB GLU 32 1.694 -6.628 -1.760 267 1HG GLU 32 2HG GLU 32 1.974 -4.701 -4.088 268 2HG GLU 32 1HG GLU 32 3.296 -5.365 -3.130 269 H ASN 33 H ASN 33 -0.759 -7.558 -4.868 270 HA ASN 33 HA ASN 33 0.114 -5.805 -6.964 271 1HB ASN 33 2HB ASN 33 -1.563 -7.274 -8.348 272 2HB ASN 33 1HB ASN 33 -0.109 -8.017 -7.687 273 1HD2 ASN 33 2HD2 ASN 33 -2.460 -10.424 -6.450 274 2HD2 ASN 33 1HD2 ASN 33 -1.359 -10.107 -7.704 275 H LEU 34 H LEU 34 -1.775 -5.295 -8.731 276 HA LEU 34 HA LEU 34 -3.397 -3.287 -7.372 277 1HB LEU 34 2HB LEU 34 -3.564 -4.024 -10.296 278 2HB LEU 34 1HB LEU 34 -3.978 -2.484 -9.536 279 HG LEU 34 HG LEU 34 -1.184 -3.634 -9.483 280 1HD1 LEU 34 3HD1 LEU 34 -2.571 -1.871 -11.500 281 2HD1 LEU 34 2HD1 LEU 34 -0.833 -1.737 -11.231 282 3HD1 LEU 34 1HD1 LEU 34 -1.524 -3.261 -11.787 283 1HD2 LEU 34 1HD2 LEU 34 -2.490 -1.004 -8.791 284 2HD2 LEU 34 3HD2 LEU 34 -1.465 -2.019 -7.777 285 3HD2 LEU 34 2HD2 LEU 34 -0.761 -1.110 -9.115 286 H ASP 35 H ASP 35 -3.824 -6.524 -8.343 287 HA ASP 35 HA ASP 35 -6.728 -6.318 -8.648 288 1HB ASP 35 2HB ASP 35 -6.205 -8.982 -8.222 289 2HB ASP 35 1HB ASP 35 -6.305 -8.207 -9.798 290 H ALA 36 H ALA 36 -4.612 -8.005 -6.296 291 HA ALA 36 HA ALA 36 -6.788 -8.530 -4.495 292 1HB ALA 36 1HB ALA 36 -3.800 -8.577 -4.046 293 2HB ALA 36 3HB ALA 36 -4.994 -9.174 -2.891 294 3HB ALA 36 2HB ALA 36 -4.825 -9.953 -4.464 295 H LEU 37 H LEU 37 -4.181 -6.149 -4.405 296 HA LEU 37 HA LEU 37 -4.937 -4.951 -1.928 297 1HB LEU 37 2HB LEU 37 -2.788 -4.517 -3.142 298 2HB LEU 37 1HB LEU 37 -3.703 -3.541 -4.293 299 HG LEU 37 HG LEU 37 -4.540 -2.639 -1.778 300 1HD1 LEU 37 2HD1 LEU 37 -1.664 -3.452 -1.804 301 2HD1 LEU 37 1HD1 LEU 37 -2.078 -1.917 -1.038 302 3HD1 LEU 37 3HD1 LEU 37 -2.811 -3.416 -0.464 303 1HD2 LEU 37 1HD2 LEU 37 -2.891 -1.658 -4.051 304 2HD2 LEU 37 3HD2 LEU 37 -4.354 -0.983 -3.345 305 3HD2 LEU 37 2HD2 LEU 37 -2.799 -0.724 -2.554 306 H TRP 38 H TRP 38 -5.622 -3.820 -5.251 307 HA TRP 38 HA TRP 38 -7.456 -1.788 -4.536 308 1HB TRP 38 2HB TRP 38 -6.598 -2.102 -6.841 309 2HB TRP 38 1HB TRP 38 -7.443 -3.634 -6.930 310 HD1 TRP 38 HD1 TRP 38 -9.607 -3.606 -8.031 311 HE1 TRP 38 HE1 TRP 38 -11.422 -1.871 -8.625 312 HE3 TRP 38 HE3 TRP 38 -7.649 0.549 -5.776 313 HZ2 TRP 38 HZ2 TRP 38 -11.950 0.903 -8.218 314 HZ3 TRP 38 HZ3 TRP 38 -8.814 2.715 -5.921 315 HH2 TRP 38 HH2 TRP 38 -10.967 2.900 -7.130 316 H ASP 39 H ASP 39 -7.876 -5.223 -5.098 317 HA ASP 39 HA ASP 39 -10.690 -5.375 -4.809 318 1HB ASP 39 2HB ASP 39 -8.416 -7.243 -4.525 319 2HB ASP 39 1HB ASP 39 -9.868 -7.693 -3.633 320 H ALA 40 H ALA 40 -8.136 -5.092 -2.459 321 HA ALA 40 HA ALA 40 -9.937 -5.527 -0.181 322 1HB ALA 40 1HB ALA 40 -7.415 -6.063 -0.243 323 2HB ALA 40 3HB ALA 40 -7.174 -4.332 -0.008 324 3HB ALA 40 2HB ALA 40 -8.045 -5.274 1.204 325 H LEU 41 H LEU 41 -7.788 -2.755 -0.892 326 HA LEU 41 HA LEU 41 -8.891 -0.820 0.677 327 1HB LEU 41 2HB LEU 41 -7.917 -0.628 -2.156 328 2HB LEU 41 1HB LEU 41 -8.527 0.801 -1.322 329 HG LEU 41 HG LEU 41 -6.515 -0.907 0.080 330 1HD1 LEU 41 1HD1 LEU 41 -5.743 -0.481 -2.321 331 2HD1 LEU 41 3HD1 LEU 41 -5.723 1.234 -1.909 332 3HD1 LEU 41 2HD1 LEU 41 -4.665 0.106 -1.053 333 1HD2 LEU 41 3HD2 LEU 41 -7.806 1.495 0.613 334 2HD2 LEU 41 2HD2 LEU 41 -6.370 0.880 1.437 335 3HD2 LEU 41 1HD2 LEU 41 -6.200 1.991 0.077 336 H THR 42 H THR 42 -10.111 -1.623 -2.519 337 HA THR 42 HA THR 42 -12.522 -0.006 -2.124 338 HB THR 42 HB THR 42 -12.947 -0.353 -4.378 339 HG1 THR 42 HG1 THR 42 -12.734 -2.260 -5.330 340 1HG2 THR 42 2HG2 THR 42 -10.267 0.039 -3.691 341 2HG2 THR 42 1HG2 THR 42 -10.220 -1.204 -4.939 342 3HG2 THR 42 3HG2 THR 42 -10.997 0.345 -5.266 343 H GLY 43 H GLY 43 -12.399 -1.946 -0.114 344 1HA GLY 43 2HA GLY 43 -14.823 -3.024 0.200 345 2HA GLY 43 1HA GLY 43 -14.168 -4.154 -0.986 346 H TRP 44 H TRP 44 -12.311 -2.611 1.640 347 HA TRP 44 HA TRP 44 -12.462 -4.910 3.395 348 1HB TRP 44 2HB TRP 44 -11.071 -5.950 1.659 349 2HB TRP 44 1HB TRP 44 -9.944 -4.592 1.734 350 HD1 TRP 44 HD1 TRP 44 -8.862 -4.155 4.284 351 HE1 TRP 44 HE1 TRP 44 -8.030 -5.921 5.972 352 HE3 TRP 44 HE3 TRP 44 -11.265 -8.290 2.495 353 HZ2 TRP 44 HZ2 TRP 44 -8.346 -8.722 6.492 354 HZ3 TRP 44 HZ3 TRP 44 -10.985 -10.489 3.602 355 HH2 TRP 44 HH2 TRP 44 -9.528 -10.709 5.596 356 H VAL 45 H VAL 45 -10.632 -2.149 2.258 357 HA VAL 45 HA VAL 45 -9.383 -1.601 4.821 358 HB VAL 45 HB VAL 45 -9.643 -0.201 2.175 359 1HG1 VAL 45 1HG1 VAL 45 -8.410 0.939 4.682 360 2HG1 VAL 45 3HG1 VAL 45 -8.269 1.629 3.066 361 3HG1 VAL 45 2HG1 VAL 45 -9.845 1.546 3.853 362 1HG2 VAL 45 2HG2 VAL 45 -7.557 -1.634 3.744 363 2HG2 VAL 45 1HG2 VAL 45 -7.854 -1.640 2.006 364 3HG2 VAL 45 3HG2 VAL 45 -7.018 -0.279 2.754 365 H GLU 46 H GLU 46 -9.797 0.618 5.867 366 HA GLU 46 HA GLU 46 -12.702 1.306 5.739 367 1HB GLU 46 2HB GLU 46 -10.927 0.963 8.171 368 2HB GLU 46 1HB GLU 46 -12.478 1.803 8.231 369 1HG GLU 46 2HG GLU 46 -13.698 -0.127 7.870 370 2HG GLU 46 1HG GLU 46 -12.399 -0.904 6.965 371 H TYR 47 H TYR 47 -12.631 3.234 4.697 372 HA TYR 47 HA TYR 47 -10.478 5.157 5.154 373 1HB TYR 47 2HB TYR 47 -13.080 5.518 3.639 374 2HB TYR 47 1HB TYR 47 -11.603 6.468 3.451 375 HD1 TYR 47 HD2 TYR 47 -9.458 4.534 3.421 376 HD2 TYR 47 HD1 TYR 47 -13.388 4.236 1.709 377 HE1 TYR 47 HE2 TYR 47 -8.603 2.893 1.760 378 HE2 TYR 47 HE1 TYR 47 -12.537 2.601 0.049 379 HH TYR 47 HH TYR 47 -9.580 1.058 0.356 380 HA PRO 48 HA PRO 48 -10.786 7.596 4.564 381 1HB PRO 48 2HB PRO 48 -9.559 9.468 6.163 382 2HB PRO 48 1HB PRO 48 -11.095 9.736 5.315 383 1HG PRO 48 2HG PRO 48 -10.617 9.168 8.213 384 2HG PRO 48 1HG PRO 48 -11.915 10.103 7.449 385 1HD PRO 48 2HD PRO 48 -12.186 7.487 8.408 386 2HD PRO 48 1HD PRO 48 -13.272 8.258 7.229 387 H LEU 49 H LEU 49 -8.854 6.734 4.050 388 HA LEU 49 HA LEU 49 -7.237 5.490 6.217 389 1HB LEU 49 2HB LEU 49 -7.696 3.824 4.655 390 2HB LEU 49 1HB LEU 49 -7.678 4.954 3.302 391 HG LEU 49 HG LEU 49 -5.195 5.175 3.602 392 1HD1 LEU 49 2HD1 LEU 49 -5.764 3.816 6.017 393 2HD1 LEU 49 1HD1 LEU 49 -4.850 2.682 5.021 394 3HD1 LEU 49 3HD1 LEU 49 -4.178 4.267 5.394 395 1HD2 LEU 49 3HD2 LEU 49 -6.720 2.987 2.549 396 2HD2 LEU 49 2HD2 LEU 49 -5.196 3.653 1.956 397 3HD2 LEU 49 1HD2 LEU 49 -5.189 2.372 3.171 398 H VAL 50 H VAL 50 -4.910 5.805 6.189 399 HA VAL 50 HA VAL 50 -4.046 8.227 4.660 400 HB VAL 50 HB VAL 50 -3.873 7.580 7.553 401 1HG1 VAL 50 2HG1 VAL 50 -1.516 8.649 5.994 402 2HG1 VAL 50 1HG1 VAL 50 -1.766 9.063 7.691 403 3HG1 VAL 50 3HG1 VAL 50 -1.533 7.380 7.218 404 1HG2 VAL 50 1HG2 VAL 50 -5.081 9.509 6.269 405 2HG2 VAL 50 3HG2 VAL 50 -4.249 9.877 7.779 406 3HG2 VAL 50 2HG2 VAL 50 -3.480 10.251 6.236 407 H LEU 51 H LEU 51 -2.945 7.117 3.007 408 HA LEU 51 HA LEU 51 -1.148 4.891 3.684 409 1HB LEU 51 2HB LEU 51 -2.447 5.025 1.509 410 2HB LEU 51 1HB LEU 51 -1.384 6.358 1.048 411 HG LEU 51 HG LEU 51 0.558 4.731 1.569 412 1HD1 LEU 51 1HD1 LEU 51 -1.834 2.958 1.645 413 2HD1 LEU 51 3HD1 LEU 51 -0.326 2.333 0.968 414 3HD1 LEU 51 2HD1 LEU 51 -0.368 2.913 2.638 415 1HD2 LEU 51 2HD2 LEU 51 -1.318 4.434 -0.768 416 2HD2 LEU 51 1HD2 LEU 51 0.189 5.355 -0.686 417 3HD2 LEU 51 3HD2 LEU 51 0.230 3.592 -0.686 418 H GLU 52 H GLU 52 -0.007 6.629 5.202 419 HA GLU 52 HA GLU 52 1.677 8.610 3.985 420 1HB GLU 52 2HB GLU 52 1.279 8.740 6.357 421 2HB GLU 52 1HB GLU 52 1.877 7.097 6.605 422 1HG GLU 52 2HG GLU 52 4.121 7.732 6.102 423 2HG GLU 52 1HG GLU 52 3.612 9.290 5.452 424 H TRP 53 H TRP 53 2.612 7.442 2.131 425 HA TRP 53 HA TRP 53 4.277 5.106 2.665 426 1HB TRP 53 2HB TRP 53 3.018 5.763 0.452 427 2HB TRP 53 1HB TRP 53 4.487 6.690 0.127 428 HD1 TRP 53 HD1 TRP 53 6.828 5.072 0.796 429 HE1 TRP 53 HE1 TRP 53 7.283 2.690 -0.080 430 HE3 TRP 53 HE3 TRP 53 2.096 3.703 -0.517 431 HZ2 TRP 53 HZ2 TRP 53 5.823 0.503 -1.192 432 HZ3 TRP 53 HZ3 TRP 53 1.652 1.476 -1.491 433 HH2 TRP 53 HH2 TRP 53 3.510 -0.135 -1.828 434 H ARG 54 H ARG 54 6.035 5.642 3.967 435 HA ARG 54 HA ARG 54 7.455 8.134 3.806 436 1HB ARG 54 2HB ARG 54 8.558 5.516 4.850 437 2HB ARG 54 1HB ARG 54 9.021 7.149 5.332 438 1HG ARG 54 2HG ARG 54 6.197 6.910 5.670 439 2HG ARG 54 1HG ARG 54 6.951 5.507 6.427 440 1HD ARG 54 2HD ARG 54 7.516 8.428 6.976 441 2HD ARG 54 1HD ARG 54 6.896 7.220 8.101 442 HE ARG 54 HE ARG 54 9.182 6.098 7.838 443 1HH1 ARG 54 1HH1 ARG 54 11.458 8.795 6.859 444 2HH1 ARG 54 2HH1 ARG 54 10.750 7.462 6.010 445 1HH2 ARG 54 1HH2 ARG 54 9.186 8.677 9.476 446 2HH2 ARG 54 2HH2 ARG 54 10.573 9.483 8.823 447 H GLN 55 H GLN 55 8.696 8.763 2.125 448 HA GLN 55 HA GLN 55 10.449 8.689 0.558 449 1HB GLN 55 2HB GLN 55 11.453 7.014 2.205 450 2HB GLN 55 1HB GLN 55 10.761 5.753 1.190 451 1HG GLN 55 2HG GLN 55 13.122 6.261 0.583 452 2HG GLN 55 1HG GLN 55 12.006 6.577 -0.746 453 1HE2 GLN 55 2HE2 GLN 55 13.590 9.747 -0.959 454 2HE2 GLN 55 1HE2 GLN 55 13.363 8.239 -1.705 455 H PHE 56 H PHE 56 9.193 5.354 0.266 456 HA PHE 56 HA PHE 56 7.719 4.468 -1.367 457 1HB PHE 56 2HB PHE 56 6.772 6.824 -1.592 458 2HB PHE 56 1HB PHE 56 7.950 7.080 -2.875 459 HD1 PHE 56 HD2 PHE 56 6.112 3.932 -2.084 460 HD2 PHE 56 HD1 PHE 56 6.591 7.216 -4.808 461 HE1 PHE 56 HE2 PHE 56 4.617 2.809 -3.701 462 HE2 PHE 56 HE1 PHE 56 5.094 6.092 -6.425 463 HZ PHE 56 HZ PHE 56 4.105 3.885 -5.874 464 H GLU 57 H GLU 57 9.700 6.679 -3.351 465 HA GLU 57 HA GLU 57 10.405 4.888 -5.341 466 1HB GLU 57 2HB GLU 57 11.020 7.381 -5.094 467 2HB GLU 57 1HB GLU 57 12.444 6.809 -4.223 468 1HG GLU 57 2HG GLU 57 13.304 6.823 -6.366 469 2HG GLU 57 1HG GLU 57 12.631 5.193 -6.339 470 H GLN 58 H GLN 58 11.573 4.896 -2.060 471 HA GLN 58 HA GLN 58 14.001 3.458 -2.419 472 1HB GLN 58 2HB GLN 58 13.430 2.614 -0.018 473 2HB GLN 58 1HB GLN 58 13.693 4.340 -0.267 474 1HG GLN 58 2HG GLN 58 11.372 4.812 -0.237 475 2HG GLN 58 1HG GLN 58 10.940 3.120 -0.463 476 1HE2 GLN 58 2HE2 GLN 58 12.660 3.443 3.185 477 2HE2 GLN 58 1HE2 GLN 58 13.555 3.661 1.761 478 H SER 59 H SER 59 11.909 1.534 -0.481 479 HA SER 59 HA SER 59 12.426 -0.933 -1.446 480 1HB SER 59 2HB SER 59 10.870 -0.634 0.385 481 2HB SER 59 1HB SER 59 9.688 0.116 -0.691 482 HG SER 59 HG SER 59 9.363 -1.820 -1.677 483 H LYS 60 H LYS 60 10.397 1.420 -3.063 484 HA LYS 60 HA LYS 60 9.008 -0.007 -4.965 485 1HB LYS 60 2HB LYS 60 9.252 2.524 -4.707 486 2HB LYS 60 1HB LYS 60 10.713 2.375 -5.695 487 1HG LYS 60 2HG LYS 60 9.073 0.999 -7.279 488 2HG LYS 60 1HG LYS 60 7.845 1.972 -6.465 489 1HD LYS 60 2HD LYS 60 8.425 3.814 -7.625 490 2HD LYS 60 1HD LYS 60 10.130 3.598 -7.227 491 1HE LYS 60 2HE LYS 60 10.502 2.179 -9.089 492 2HE LYS 60 1HE LYS 60 8.776 1.910 -9.332 493 1HZ LYS 60 1HZ LYS 60 9.496 4.680 -9.432 494 2HZ LYS 60 3HZ LYS 60 10.293 3.764 -10.615 495 3HZ LYS 60 2HZ LYS 60 8.597 3.754 -10.536 496 H GLN 61 H GLN 61 12.244 1.295 -5.721 497 HA GLN 61 HA GLN 61 12.629 -0.414 -7.989 498 1HB GLN 61 2HB GLN 61 13.842 1.816 -7.135 499 2HB GLN 61 1HB GLN 61 14.985 0.633 -6.499 500 1HG GLN 61 2HG GLN 61 15.855 0.336 -8.552 501 2HG GLN 61 1HG GLN 61 14.270 -0.127 -9.172 502 1HE2 GLN 61 1HE2 GLN 61 15.625 1.242 -11.026 503 2HE2 GLN 61 2HE2 GLN 61 15.158 2.870 -11.113 504 H LEU 62 H LEU 62 12.957 -0.939 -4.655 505 HA LEU 62 HA LEU 62 14.978 -3.026 -4.791 506 1HB LEU 62 2HB LEU 62 13.013 -2.167 -2.658 507 2HB LEU 62 1HB LEU 62 14.138 -3.506 -2.431 508 HG LEU 62 HG LEU 62 16.024 -2.102 -2.500 509 1HD1 LEU 62 1HD1 LEU 62 14.231 0.012 -3.745 510 2HD1 LEU 62 3HD1 LEU 62 15.915 0.269 -3.287 511 3HD1 LEU 62 2HD1 LEU 62 15.513 -0.885 -4.558 512 1HD2 LEU 62 1HD2 LEU 62 14.253 -1.680 -0.592 513 2HD2 LEU 62 3HD2 LEU 62 15.661 -0.628 -0.734 514 3HD2 LEU 62 2HD2 LEU 62 14.099 -0.101 -1.364 515 H THR 63 H THR 63 11.892 -2.940 -5.936 516 HA THR 63 HA THR 63 11.636 -5.894 -5.660 517 HB THR 63 HB THR 63 10.103 -4.714 -4.059 518 HG1 THR 63 HG1 THR 63 9.625 -6.754 -5.154 519 1HG2 THR 63 2HG2 THR 63 9.372 -3.336 -6.571 520 2HG2 THR 63 1HG2 THR 63 8.028 -3.793 -5.524 521 3HG2 THR 63 3HG2 THR 63 9.315 -2.757 -4.908 522 H GLU 64 H GLU 64 8.917 -5.259 -7.165 523 HA GLU 64 HA GLU 64 10.001 -4.432 -9.778 524 1HB GLU 64 2HB GLU 64 8.959 -6.515 -10.825 525 2HB GLU 64 1HB GLU 64 10.441 -6.788 -9.909 526 1HG GLU 64 2HG GLU 64 8.032 -6.919 -8.246 527 2HG GLU 64 1HG GLU 64 8.053 -8.134 -9.524 528 H ASN 65 H ASN 65 8.425 -2.732 -8.857 529 HA ASN 65 HA ASN 65 6.397 -1.628 -9.381 530 1HB ASN 65 2HB ASN 65 6.383 -3.761 -11.159 531 2HB ASN 65 1HB ASN 65 4.884 -3.974 -10.256 532 1HD2 ASN 65 2HD2 ASN 65 5.356 -0.573 -12.525 533 2HD2 ASN 65 1HD2 ASN 65 6.731 -1.421 -12.009 534 H GLY 66 H GLY 66 7.076 -2.995 -6.883 535 1HA GLY 66 2HA GLY 66 4.544 -4.159 -5.929 536 2HA GLY 66 1HA GLY 66 6.015 -3.947 -4.971 537 H ALA 67 H ALA 67 6.562 -1.308 -5.137 538 HA ALA 67 HA ALA 67 4.444 -0.121 -3.515 539 1HB ALA 67 2HB ALA 67 7.006 0.240 -3.308 540 2HB ALA 67 1HB ALA 67 6.813 1.366 -4.651 541 3HB ALA 67 3HB ALA 67 5.964 1.651 -3.132 542 H GLU 68 H GLU 68 5.742 0.381 -6.793 543 HA GLU 68 HA GLU 68 4.166 2.652 -7.429 544 1HB GLU 68 2HB GLU 68 6.123 1.298 -8.720 545 2HB GLU 68 1HB GLU 68 4.713 0.714 -9.604 546 1HG GLU 68 2HG GLU 68 4.004 3.168 -9.800 547 2HG GLU 68 1HG GLU 68 5.633 3.571 -9.253 548 H SER 69 H SER 69 3.487 -0.809 -7.561 549 HA SER 69 HA SER 69 0.951 -0.460 -8.948 550 1HB SER 69 2HB SER 69 1.866 -2.599 -9.271 551 2HB SER 69 1HB SER 69 2.347 -2.750 -7.584 552 HG SER 69 HG SER 69 0.383 -3.926 -8.388 553 H VAL 70 H VAL 70 1.795 -1.356 -5.567 554 HA VAL 70 HA VAL 70 -0.808 -1.343 -4.537 555 HB VAL 70 HB VAL 70 1.676 -0.242 -3.171 556 1HG1 VAL 70 2HG1 VAL 70 -1.018 -0.203 -2.377 557 2HG1 VAL 70 1HG1 VAL 70 -0.301 -1.547 -1.486 558 3HG1 VAL 70 3HG1 VAL 70 0.387 0.072 -1.345 559 1HG2 VAL 70 2HG2 VAL 70 1.211 -2.840 -4.092 560 2HG2 VAL 70 1HG2 VAL 70 2.372 -2.378 -2.848 561 3HG2 VAL 70 3HG2 VAL 70 0.754 -2.908 -2.391 562 H LEU 71 H LEU 71 1.255 1.198 -5.657 563 HA LEU 71 HA LEU 71 -0.382 3.236 -4.417 564 1HB LEU 71 2HB LEU 71 2.165 3.174 -5.769 565 2HB LEU 71 1HB LEU 71 1.150 4.476 -6.397 566 HG LEU 71 HG LEU 71 2.213 5.471 -4.565 567 1HD1 LEU 71 1HD1 LEU 71 -0.414 5.370 -4.465 568 2HD1 LEU 71 3HD1 LEU 71 -0.093 4.428 -3.007 569 3HD1 LEU 71 2HD1 LEU 71 0.511 6.082 -3.141 570 1HD2 LEU 71 2HD2 LEU 71 2.770 2.927 -3.784 571 2HD2 LEU 71 1HD2 LEU 71 3.092 4.351 -2.792 572 3HD2 LEU 71 3HD2 LEU 71 1.613 3.419 -2.549 573 H GLN 72 H GLN 72 -0.030 1.804 -7.651 574 HA GLN 72 HA GLN 72 -1.694 3.628 -9.031 575 1HB GLN 72 2HB GLN 72 -1.068 0.721 -9.333 576 2HB GLN 72 1HB GLN 72 -2.460 1.351 -10.216 577 1HG GLN 72 2HG GLN 72 0.314 2.568 -10.322 578 2HG GLN 72 1HG GLN 72 -0.328 1.456 -11.532 579 1HE2 GLN 72 2HE2 GLN 72 -2.945 3.942 -12.436 580 2HE2 GLN 72 1HE2 GLN 72 -2.932 2.333 -11.894 581 H VAL 73 H VAL 73 -2.394 0.992 -6.881 582 HA VAL 73 HA VAL 73 -5.295 1.207 -7.155 583 HB VAL 73 HB VAL 73 -3.585 -0.252 -5.135 584 1HG1 VAL 73 3HG1 VAL 73 -5.955 0.261 -4.450 585 2HG1 VAL 73 2HG1 VAL 73 -6.481 -0.646 -5.862 586 3HG1 VAL 73 1HG1 VAL 73 -5.590 -1.459 -4.585 587 1HG2 VAL 73 1HG2 VAL 73 -4.390 -0.701 -7.911 588 2HG2 VAL 73 3HG2 VAL 73 -3.136 -1.504 -6.961 589 3HG2 VAL 73 2HG2 VAL 73 -4.817 -2.047 -6.849 590 H PHE 74 H PHE 74 -3.114 1.781 -4.360 591 HA PHE 74 HA PHE 74 -4.927 2.856 -2.595 592 1HB PHE 74 2HB PHE 74 -2.020 3.157 -3.102 593 2HB PHE 74 1HB PHE 74 -2.767 4.431 -2.153 594 HD1 PHE 74 HD2 PHE 74 -4.730 3.278 -0.500 595 HD2 PHE 74 HD1 PHE 74 -1.007 1.553 -1.758 596 HE1 PHE 74 HE2 PHE 74 -4.764 1.744 1.441 597 HE2 PHE 74 HE1 PHE 74 -1.059 0.021 0.191 598 HZ PHE 74 HZ PHE 74 -2.957 0.129 1.782 599 H ARG 75 H ARG 75 -2.922 4.605 -4.923 600 HA ARG 75 HA ARG 75 -4.224 7.124 -4.675 601 1HB ARG 75 2HB ARG 75 -2.583 5.817 -6.831 602 2HB ARG 75 1HB ARG 75 -3.393 7.348 -7.161 603 1HG ARG 75 2HG ARG 75 -2.141 8.508 -5.567 604 2HG ARG 75 1HG ARG 75 -1.765 7.045 -4.657 605 1HD ARG 75 2HD ARG 75 0.223 7.825 -5.874 606 2HD ARG 75 1HD ARG 75 -0.319 6.272 -6.510 607 HE ARG 75 HE ARG 75 -0.399 8.839 -7.929 608 1HH1 ARG 75 2HH1 ARG 75 -0.211 5.573 -8.338 609 2HH1 ARG 75 1HH1 ARG 75 -1.314 5.469 -9.670 610 1HH2 ARG 75 1HH2 ARG 75 -2.422 8.739 -9.351 611 2HH2 ARG 75 2HH2 ARG 75 -2.566 7.262 -10.243 612 H GLU 76 H GLU 76 -4.881 4.321 -6.845 613 HA GLU 76 HA GLU 76 -6.926 5.563 -8.395 614 1HB GLU 76 2HB GLU 76 -6.240 2.761 -7.648 615 2HB GLU 76 1HB GLU 76 -7.861 3.051 -8.283 616 1HG GLU 76 2HG GLU 76 -5.387 4.099 -9.657 617 2HG GLU 76 1HG GLU 76 -6.053 2.504 -10.005 618 H ALA 77 H ALA 77 -6.943 4.419 -5.121 619 HA ALA 77 HA ALA 77 -9.863 4.378 -4.902 620 1HB ALA 77 2HB ALA 77 -7.561 4.010 -2.977 621 2HB ALA 77 1HB ALA 77 -9.218 4.154 -2.399 622 3HB ALA 77 3HB ALA 77 -8.775 2.832 -3.472 623 H LYS 78 H LYS 78 -7.234 6.406 -3.530 624 HA LYS 78 HA LYS 78 -8.963 8.365 -2.416 625 1HB LYS 78 2HB LYS 78 -7.002 9.637 -2.123 626 2HB LYS 78 1HB LYS 78 -6.421 7.979 -2.088 627 1HG LYS 78 2HG LYS 78 -4.992 8.553 -3.735 628 2HG LYS 78 1HG LYS 78 -6.395 8.673 -4.799 629 1HD LYS 78 2HD LYS 78 -5.093 10.761 -4.856 630 2HD LYS 78 1HD LYS 78 -6.681 11.043 -4.141 631 1HE LYS 78 2HE LYS 78 -5.705 11.807 -2.265 632 2HE LYS 78 1HE LYS 78 -4.904 10.251 -2.047 633 1HZ LYS 78 2HZ LYS 78 -3.312 11.172 -3.851 634 2HZ LYS 78 1HZ LYS 78 -3.908 12.686 -3.360 635 3HZ LYS 78 3HZ LYS 78 -3.133 11.676 -2.239 636 H ALA 79 H ALA 79 -8.207 7.578 -5.648 637 HA ALA 79 HA ALA 79 -8.799 10.256 -6.741 638 1HB ALA 79 1HB ALA 79 -7.339 8.047 -7.643 639 2HB ALA 79 3HB ALA 79 -8.799 8.034 -8.636 640 3HB ALA 79 2HB ALA 79 -7.763 9.467 -8.598 641 H GLU 80 H GLU 80 -9.991 7.055 -7.623 642 HA GLU 80 HA GLU 80 -12.356 7.730 -8.831 643 1HB GLU 80 2HB GLU 80 -12.033 5.391 -6.936 644 2HB GLU 80 1HB GLU 80 -13.149 5.519 -8.293 645 1HG GLU 80 2HG GLU 80 -10.417 6.055 -9.123 646 2HG GLU 80 1HG GLU 80 -10.575 4.458 -8.391 647 H GLY 81 H GLY 81 -12.309 6.735 -5.353 648 1HA GLY 81 2HA GLY 81 -14.048 8.997 -4.690 649 2HA GLY 81 1HA GLY 81 -14.904 7.454 -4.706 650 H ALA 82 H ALA 82 -12.616 5.914 -3.705 651 HA ALA 82 HA ALA 82 -13.087 5.760 -1.016 652 1HB ALA 82 3HB ALA 82 -11.024 4.878 -2.747 653 2HB ALA 82 2HB ALA 82 -10.236 5.576 -1.330 654 3HB ALA 82 1HB ALA 82 -11.411 4.273 -1.138 655 H ASP 83 H ASP 83 -11.913 6.575 0.888 656 HA ASP 83 HA ASP 83 -11.084 9.418 0.505 657 1HB ASP 83 2HB ASP 83 -12.812 8.098 2.410 658 2HB ASP 83 1HB ASP 83 -11.473 8.874 3.256 659 H ILE 84 H ILE 84 -9.100 7.772 -0.156 660 HA ILE 84 HA ILE 84 -7.467 7.270 2.274 661 HB ILE 84 HB ILE 84 -7.114 6.443 -0.622 662 1HG1 ILE 84 2HG1 ILE 84 -7.263 4.477 1.571 663 2HG1 ILE 84 1HG1 ILE 84 -8.745 5.394 1.301 664 1HG2 ILE 84 1HG2 ILE 84 -4.973 6.923 0.752 665 2HG2 ILE 84 3HG2 ILE 84 -5.452 5.537 1.733 666 3HG2 ILE 84 2HG2 ILE 84 -5.113 5.328 0.012 667 1HD1 ILE 84 2HD1 ILE 84 -7.648 4.643 -1.236 668 2HD1 ILE 84 1HD1 ILE 84 -7.752 3.208 -0.215 669 3HD1 ILE 84 3HD1 ILE 84 -9.194 4.175 -0.527 670 H THR 85 H THR 85 -5.354 8.174 2.448 671 HA THR 85 HA THR 85 -4.890 10.560 0.711 672 HB THR 85 HB THR 85 -4.148 10.076 3.615 673 HG1 THR 85 HG1 THR 85 -5.513 11.883 3.900 674 1HG2 THR 85 2HG2 THR 85 -3.205 12.053 1.589 675 2HG2 THR 85 1HG2 THR 85 -3.494 12.637 3.228 676 3HG2 THR 85 3HG2 THR 85 -2.338 11.336 2.946 677 H ILE 86 H ILE 86 -3.502 9.653 -0.801 678 HA ILE 86 HA ILE 86 -1.392 7.833 0.064 679 HB ILE 86 HB ILE 86 -2.554 8.715 -2.492 680 1HG1 ILE 86 2HG1 ILE 86 -2.314 6.391 -3.015 681 2HG1 ILE 86 1HG1 ILE 86 -1.086 6.168 -1.774 682 1HG2 ILE 86 2HG2 ILE 86 -0.180 9.529 -2.711 683 2HG2 ILE 86 1HG2 ILE 86 0.361 7.876 -2.422 684 3HG2 ILE 86 3HG2 ILE 86 -0.599 8.253 -3.852 685 1HD1 ILE 86 3HD1 ILE 86 -3.377 7.209 -0.459 686 2HD1 ILE 86 2HD1 ILE 86 -3.946 5.941 -1.540 687 3HD1 ILE 86 1HD1 ILE 86 -2.712 5.577 -0.329 688 H ILE 87 H ILE 87 0.433 8.526 0.931 689 HA ILE 87 HA ILE 87 1.323 11.316 0.407 690 HB ILE 87 HB ILE 87 2.395 9.289 2.391 691 1HG1 ILE 87 2HG1 ILE 87 0.001 9.923 2.770 692 2HG1 ILE 87 1HG1 ILE 87 1.071 10.476 4.059 693 1HG2 ILE 87 1HG2 ILE 87 3.543 11.626 1.459 694 2HG2 ILE 87 3HG2 ILE 87 2.702 12.161 2.914 695 3HG2 ILE 87 2HG2 ILE 87 3.898 10.868 3.011 696 1HD1 ILE 87 2HD1 ILE 87 1.010 12.486 2.023 697 2HD1 ILE 87 1HD1 ILE 87 -0.652 12.047 2.415 698 3HD1 ILE 87 3HD1 ILE 87 0.437 12.600 3.687 699 H LEU 88 H LEU 88 3.173 11.754 -0.751 700 HA LEU 88 HA LEU 88 5.086 9.570 -1.315 701 1HB LEU 88 2HB LEU 88 3.521 11.042 -3.453 702 2HB LEU 88 1HB LEU 88 4.984 10.114 -3.783 703 HG LEU 88 HG LEU 88 2.508 8.985 -2.449 704 1HD1 LEU 88 3HD1 LEU 88 3.421 9.106 -5.307 705 2HD1 LEU 88 2HD1 LEU 88 2.528 7.693 -4.747 706 3HD1 LEU 88 1HD1 LEU 88 1.796 9.295 -4.649 707 1HD2 LEU 88 1HD2 LEU 88 5.240 8.056 -2.813 708 2HD2 LEU 88 3HD2 LEU 88 3.935 7.331 -1.874 709 3HD2 LEU 88 2HD2 LEU 88 4.091 6.969 -3.593 710 H SER 89 HN SER 89 5.997 11.383 0.241 711 HA SER 89 HA SER 89 7.966 12.852 -1.247 712 1HB SER 89 2HB SER 89 5.485 14.155 -1.089 713 2HB SER 89 1HB SER 89 6.481 14.924 0.147 714 HG SER 89 HG SER 89 6.713 14.928 -2.606 No H/Q in entry = 714 Start of MODEL 15 1 1H LYS 1 2H LYS 1 -8.168 4.918 8.278 2 2H LYS 1 1H LYS 1 -8.967 4.019 9.477 3 3H LYS 1 3H LYS 1 -8.499 5.619 9.790 4 HA LYS 1 HA LYS 1 -6.816 4.539 10.849 5 1HB LYS 1 2HB LYS 1 -7.306 2.425 8.755 6 2HB LYS 1 1HB LYS 1 -5.829 2.411 9.721 7 1HG LYS 1 2HG LYS 1 -7.148 2.365 11.786 8 2HG LYS 1 1HG LYS 1 -8.643 2.449 10.853 9 1HD LYS 1 2HD LYS 1 -8.559 0.248 10.284 10 2HD LYS 1 1HD LYS 1 -6.812 0.283 10.037 11 1HE LYS 1 2HE LYS 1 -7.131 -1.116 11.932 12 2HE LYS 1 1HE LYS 1 -6.616 0.435 12.594 13 1HZ LYS 1 2HZ LYS 1 -9.478 0.067 12.206 14 2HZ LYS 1 1HZ LYS 1 -8.763 -0.848 13.447 15 3HZ LYS 1 3HZ LYS 1 -8.641 0.844 13.463 16 H LYS 2 H LYS 2 -4.505 4.748 10.494 17 HA LYS 2 HA LYS 2 -3.904 5.997 7.853 18 1HB LYS 2 2HB LYS 2 -2.521 7.547 8.890 19 2HB LYS 2 1HB LYS 2 -3.762 7.328 10.120 20 1HG LYS 2 2HG LYS 2 -1.830 7.108 11.392 21 2HG LYS 2 1HG LYS 2 -2.148 5.424 10.980 22 1HD LYS 2 2HD LYS 2 0.037 5.489 10.291 23 2HD LYS 2 1HD LYS 2 -0.683 6.152 8.823 24 1HE LYS 2 2HE LYS 2 1.022 7.696 9.361 25 2HE LYS 2 1HE LYS 2 -0.445 8.453 9.981 26 1HZ LYS 2 1HZ LYS 2 0.493 6.798 11.989 27 2HZ LYS 2 3HZ LYS 2 1.857 7.615 11.396 28 3HZ LYS 2 2HZ LYS 2 0.517 8.496 11.959 29 H ALA 3 H ALA 3 -2.803 4.635 6.581 30 HA ALA 3 HA ALA 3 -1.157 2.489 7.723 31 1HB ALA 3 3HB ALA 3 -2.627 2.663 5.433 32 2HB ALA 3 2HB ALA 3 -1.019 3.041 4.814 33 3HB ALA 3 1HB ALA 3 -1.305 1.518 5.657 34 H VAL 4 H VAL 4 1.140 2.270 7.173 35 HA VAL 4 HA VAL 4 2.469 4.786 6.306 36 HB VAL 4 HB VAL 4 3.126 3.270 8.852 37 1HG1 VAL 4 3HG1 VAL 4 4.618 5.215 7.184 38 2HG1 VAL 4 2HG1 VAL 4 4.604 5.553 8.915 39 3HG1 VAL 4 1HG1 VAL 4 5.222 4.012 8.322 40 1HG2 VAL 4 3HG2 VAL 4 1.139 4.802 8.940 41 2HG2 VAL 4 2HG2 VAL 4 2.463 5.323 9.982 42 3HG2 VAL 4 1HG2 VAL 4 2.189 6.127 8.436 43 H ILE 5 H ILE 5 4.100 4.335 4.904 44 HA ILE 5 HA ILE 5 5.152 1.532 4.884 45 HB ILE 5 HB ILE 5 4.812 3.342 2.488 46 1HG1 ILE 5 2HG1 ILE 5 3.072 1.018 3.258 47 2HG1 ILE 5 1HG1 ILE 5 2.707 2.666 3.755 48 1HG2 ILE 5 1HG2 ILE 5 5.521 0.434 2.899 49 2HG2 ILE 5 3HG2 ILE 5 4.927 1.036 1.351 50 3HG2 ILE 5 2HG2 ILE 5 6.436 1.659 2.021 51 1HD1 ILE 5 3HD1 ILE 5 3.100 1.830 0.880 52 2HD1 ILE 5 2HD1 ILE 5 1.526 1.938 1.661 53 3HD1 ILE 5 1HD1 ILE 5 2.513 3.384 1.469 54 H ASN 6 H ASN 6 7.293 1.420 5.249 55 HA ASN 6 HA ASN 6 8.958 3.816 4.605 56 1HB ASN 6 2HB ASN 6 9.785 1.978 6.805 57 2HB ASN 6 1HB ASN 6 10.016 3.723 6.656 58 1HD2 ASN 6 2HD2 ASN 6 7.309 2.871 9.208 59 2HD2 ASN 6 1HD2 ASN 6 8.876 2.259 8.992 60 H GLY 7 H GLY 7 10.405 3.283 3.045 61 1HA GLY 7 2HA GLY 7 10.866 0.554 2.263 62 2HA GLY 7 1HA GLY 7 11.759 1.958 1.660 63 H GLU 8 H GLU 8 12.037 2.373 4.836 64 HA GLU 8 HA GLU 8 14.739 1.343 4.908 65 1HB GLU 8 2HB GLU 8 13.755 3.425 6.129 66 2HB GLU 8 1HB GLU 8 13.227 2.259 7.344 67 1HG GLU 8 2HG GLU 8 15.324 2.777 8.179 68 2HG GLU 8 1HG GLU 8 15.743 1.423 7.130 69 H GLN 9 H GLN 9 11.674 0.069 5.609 70 HA GLN 9 HA GLN 9 12.905 -2.176 7.147 71 1HB GLN 9 2HB GLN 9 11.274 -1.069 8.541 72 2HB GLN 9 1HB GLN 9 10.099 -1.044 7.227 73 1HG GLN 9 2HG GLN 9 9.799 -3.405 7.309 74 2HG GLN 9 1HG GLN 9 11.230 -3.626 8.316 75 1HE2 GLN 9 2HE2 GLN 9 9.367 -3.342 11.276 76 2HE2 GLN 9 1HE2 GLN 9 10.734 -3.956 10.481 77 H ILE 10 H ILE 10 11.111 -1.213 4.381 78 HA ILE 10 HA ILE 10 10.055 -3.821 3.708 79 HB ILE 10 HB ILE 10 10.662 -1.469 1.894 80 1HG1 ILE 10 2HG1 ILE 10 9.089 -0.970 3.776 81 2HG1 ILE 10 1HG1 ILE 10 8.310 -0.884 2.198 82 1HG2 ILE 10 2HG2 ILE 10 9.028 -3.995 1.562 83 2HG2 ILE 10 1HG2 ILE 10 8.846 -2.593 0.506 84 3HG2 ILE 10 3HG2 ILE 10 10.385 -3.453 0.573 85 1HD1 ILE 10 3HD1 ILE 10 7.884 -3.490 2.760 86 2HD1 ILE 10 2HD1 ILE 10 7.925 -2.844 4.400 87 3HD1 ILE 10 1HD1 ILE 10 6.760 -2.217 3.234 88 H ARG 11 H ARG 11 11.508 -5.445 3.531 89 HA ARG 11 HA ARG 11 14.230 -5.098 2.621 90 1HB ARG 11 2HB ARG 11 13.023 -7.788 2.299 91 2HB ARG 11 1HB ARG 11 14.504 -7.311 3.133 92 1HG ARG 11 2HG ARG 11 12.974 -6.279 4.916 93 2HG ARG 11 1HG ARG 11 11.668 -7.185 4.144 94 1HD ARG 11 2HD ARG 11 13.982 -8.884 4.550 95 2HD ARG 11 1HD ARG 11 13.477 -8.153 6.074 96 HE ARG 11 HE ARG 11 11.466 -9.531 4.353 97 1HH1 ARG 11 1HH2 ARG 11 11.501 -8.274 7.306 98 2HH1 ARG 11 2HH2 ARG 11 11.275 -9.739 8.203 99 1HH2 ARG 11 2HH1 ARG 11 11.915 -11.809 5.497 100 2HH2 ARG 11 1HH1 ARG 11 11.510 -11.739 7.180 101 H SER 12 H SER 12 11.295 -6.405 1.100 102 HA SER 12 HA SER 12 11.981 -5.375 -1.494 103 1HB SER 12 2HB SER 12 12.556 -7.484 -2.637 104 2HB SER 12 1HB SER 12 13.738 -7.100 -1.389 105 HG SER 12 HG SER 12 11.528 -8.618 -0.640 106 H ILE 13 H ILE 13 9.639 -5.123 -0.322 107 HA ILE 13 HA ILE 13 7.379 -5.330 -0.932 108 HB ILE 13 HB ILE 13 8.555 -6.506 -3.080 109 1HG1 ILE 13 2HG1 ILE 13 6.332 -6.546 -4.069 110 2HG1 ILE 13 1HG1 ILE 13 5.589 -6.611 -2.470 111 1HG2 ILE 13 2HG2 ILE 13 8.239 -8.730 -1.637 112 2HG2 ILE 13 1HG2 ILE 13 6.611 -8.639 -2.306 113 3HG2 ILE 13 3HG2 ILE 13 8.004 -8.728 -3.383 114 1HD1 ILE 13 3HD1 ILE 13 7.451 -4.354 -3.170 115 2HD1 ILE 13 2HD1 ILE 13 5.766 -4.304 -3.692 116 3HD1 ILE 13 1HD1 ILE 13 6.154 -4.392 -1.975 117 H SER 14 H SER 14 9.205 -8.176 0.120 118 HA SER 14 HA SER 14 7.035 -9.698 1.129 119 1HB SER 14 2HB SER 14 8.671 -10.765 2.585 120 2HB SER 14 1HB SER 14 9.421 -10.474 1.018 121 HG SER 14 HG SER 14 10.824 -9.744 2.572 122 H ASP 15 H ASP 15 8.833 -6.982 2.505 123 HA ASP 15 HA ASP 15 7.346 -7.049 5.014 124 1HB ASP 15 2HB ASP 15 9.642 -5.644 3.902 125 2HB ASP 15 1HB ASP 15 8.575 -4.557 4.787 126 H LEU 16 H LEU 16 7.097 -5.500 1.936 127 HA LEU 16 HA LEU 16 5.386 -3.320 2.624 128 1HB LEU 16 2HB LEU 16 6.547 -3.724 0.396 129 2HB LEU 16 1HB LEU 16 5.296 -4.908 0.048 130 HG LEU 16 HG LEU 16 3.788 -3.301 -0.491 131 1HD1 LEU 16 3HD1 LEU 16 4.799 -1.720 1.893 132 2HD1 LEU 16 2HD1 LEU 16 3.492 -1.183 0.838 133 3HD1 LEU 16 1HD1 LEU 16 3.305 -2.651 1.796 134 1HD2 LEU 16 3HD2 LEU 16 5.854 -2.504 -1.607 135 2HD2 LEU 16 2HD2 LEU 16 4.754 -1.180 -1.221 136 3HD2 LEU 16 1HD2 LEU 16 6.177 -1.468 -0.217 137 H HIS 17 H HIS 17 4.625 -6.608 1.468 138 HA HIS 17 HA HIS 17 1.815 -6.419 1.585 139 1HB HIS 17 2HB HIS 17 3.589 -8.803 2.175 140 2HB HIS 17 1HB HIS 17 1.866 -8.891 1.802 141 HD1 HIS 17 HD1 HIS 17 2.120 -10.146 -0.410 142 HD2 HIS 17 HD2 HIS 17 4.332 -6.611 -0.319 143 HE1 HIS 17 HE1 HIS 17 2.964 -9.765 -2.766 144 H GLN 18 H GLN 18 4.172 -6.807 4.102 145 HA GLN 18 HA GLN 18 2.206 -7.564 6.122 146 1HB GLN 18 2HB GLN 18 5.031 -6.575 6.558 147 2HB GLN 18 1HB GLN 18 4.042 -7.497 7.691 148 1HG GLN 18 2HG GLN 18 3.942 -9.203 5.640 149 2HG GLN 18 1HG GLN 18 5.469 -8.419 5.236 150 1HE2 GLN 18 2HE2 GLN 18 5.704 -11.290 7.870 151 2HE2 GLN 18 1HE2 GLN 18 4.626 -11.175 6.564 152 H THR 19 H THR 19 3.686 -4.641 4.975 153 HA THR 19 HA THR 19 2.827 -3.014 7.218 154 HB THR 19 HB THR 19 3.857 -2.384 4.454 155 HG1 THR 19 HG1 THR 19 4.799 -2.342 7.085 156 1HG2 THR 19 3HG2 THR 19 2.741 -0.506 6.535 157 2HG2 THR 19 2HG2 THR 19 3.932 0.026 5.349 158 3HG2 THR 19 1HG2 THR 19 2.364 -0.579 4.814 159 H LEU 20 H LEU 20 1.537 -3.775 4.073 160 HA LEU 20 HA LEU 20 -0.793 -2.021 4.415 161 1HB LEU 20 2HB LEU 20 -0.661 -4.238 2.392 162 2HB LEU 20 1HB LEU 20 -1.394 -2.637 2.235 163 HG LEU 20 HG LEU 20 1.558 -3.218 2.389 164 1HD1 LEU 20 1HD1 LEU 20 -0.335 -2.640 0.135 165 2HD1 LEU 20 3HD1 LEU 20 1.350 -2.138 0.012 166 3HD1 LEU 20 2HD1 LEU 20 0.952 -3.844 0.221 167 1HD2 LEU 20 2HD2 LEU 20 0.775 -1.044 3.412 168 2HD2 LEU 20 1HD2 LEU 20 1.873 -0.844 2.046 169 3HD2 LEU 20 3HD2 LEU 20 0.139 -0.604 1.826 170 H LYS 21 H LYS 21 0.107 -5.371 4.742 171 HA LYS 21 HA LYS 21 -2.607 -6.311 5.269 172 1HB LYS 21 2HB LYS 21 -0.976 -7.903 4.447 173 2HB LYS 21 1HB LYS 21 0.118 -7.536 5.784 174 1HG LYS 21 2HG LYS 21 -0.963 -8.956 7.167 175 2HG LYS 21 1HG LYS 21 -2.535 -8.284 6.731 176 1HD LYS 21 2HD LYS 21 -2.905 -9.847 5.093 177 2HD LYS 21 1HD LYS 21 -1.196 -9.965 4.675 178 1HE LYS 21 2HE LYS 21 -2.104 -10.959 7.355 179 2HE LYS 21 1HE LYS 21 -2.391 -11.958 5.930 180 1HZ LYS 21 3HZ LYS 21 -0.009 -11.732 5.400 181 2HZ LYS 21 2HZ LYS 21 0.222 -10.906 6.866 182 3HZ LYS 21 1HZ LYS 21 -0.284 -12.528 6.872 183 H LYS 22 H LYS 22 -0.089 -4.772 7.062 184 HA LYS 22 HA LYS 22 -1.164 -5.604 9.678 185 1HB LYS 22 2HB LYS 22 1.167 -5.368 9.760 186 2HB LYS 22 1HB LYS 22 1.156 -3.932 8.738 187 1HG LYS 22 2HG LYS 22 1.644 -3.292 11.048 188 2HG LYS 22 1HG LYS 22 0.064 -2.663 10.576 189 1HD LYS 22 2HD LYS 22 -0.789 -3.699 12.387 190 2HD LYS 22 1HD LYS 22 -0.458 -5.230 11.577 191 1HE LYS 22 2HE LYS 22 2.001 -4.755 12.516 192 2HE LYS 22 1HE LYS 22 1.089 -3.846 13.721 193 1HZ LYS 22 1HZ LYS 22 0.491 -6.653 12.973 194 2HZ LYS 22 3HZ LYS 22 1.464 -6.218 14.292 195 3HZ LYS 22 2HZ LYS 22 -0.174 -5.767 14.261 196 H GLU 23 H GLU 23 -0.971 -2.618 7.715 197 HA GLU 23 HA GLU 23 -2.509 -1.110 9.685 198 1HB GLU 23 2HB GLU 23 -1.850 -0.376 6.825 199 2HB GLU 23 1HB GLU 23 -2.378 0.726 8.097 200 1HG GLU 23 2HG GLU 23 0.117 -0.958 8.371 201 2HG GLU 23 1HG GLU 23 0.144 0.646 7.639 202 H LEU 24 H LEU 24 -3.106 -2.422 6.483 203 HA LEU 24 HA LEU 24 -5.910 -1.634 6.491 204 1HB LEU 24 2HB LEU 24 -4.698 -3.742 4.706 205 2HB LEU 24 1HB LEU 24 -6.026 -2.639 4.354 206 HG LEU 24 HG LEU 24 -3.254 -1.605 4.945 207 1HD1 LEU 24 1HD1 LEU 24 -4.391 -2.424 2.265 208 2HD1 LEU 24 3HD1 LEU 24 -2.893 -1.525 2.502 209 3HD1 LEU 24 2HD1 LEU 24 -3.031 -3.178 3.099 210 1HD2 LEU 24 1HD2 LEU 24 -5.715 -0.381 4.602 211 2HD2 LEU 24 3HD2 LEU 24 -4.146 0.404 4.437 212 3HD2 LEU 24 2HD2 LEU 24 -4.967 -0.232 3.011 213 H ALA 25 H ALA 25 -4.069 -4.467 7.432 214 HA ALA 25 HA ALA 25 -4.780 -6.315 8.715 215 1HB ALA 25 2HB ALA 25 -6.683 -4.380 9.284 216 2HB ALA 25 1HB ALA 25 -7.650 -5.725 8.680 217 3HB ALA 25 3HB ALA 25 -6.571 -5.963 10.055 218 H LEU 26 H LEU 26 -4.382 -6.774 6.112 219 HA LEU 26 HA LEU 26 -6.791 -7.861 4.833 220 1HB LEU 26 2HB LEU 26 -3.929 -8.273 3.938 221 2HB LEU 26 1HB LEU 26 -5.392 -8.269 2.950 222 HG LEU 26 HG LEU 26 -4.311 -5.866 4.446 223 1HD1 LEU 26 3HD1 LEU 26 -3.282 -6.946 2.154 224 2HD1 LEU 26 2HD1 LEU 26 -4.499 -5.852 1.499 225 3HD1 LEU 26 1HD1 LEU 26 -3.226 -5.229 2.548 226 1HD2 LEU 26 1HD2 LEU 26 -6.870 -6.502 3.201 227 2HD2 LEU 26 3HD2 LEU 26 -6.425 -5.109 4.188 228 3HD2 LEU 26 2HD2 LEU 26 -6.118 -5.093 2.452 229 HA PRO 27 HA PRO 27 -6.386 -11.989 6.241 230 1HB PRO 27 2HB PRO 27 -7.151 -13.395 4.009 231 2HB PRO 27 1HB PRO 27 -8.278 -12.485 5.035 232 1HG PRO 27 2HG PRO 27 -7.216 -11.792 2.336 233 2HG PRO 27 1HG PRO 27 -8.742 -11.312 3.097 234 1HD PRO 27 2HD PRO 27 -6.430 -9.709 2.860 235 2HD PRO 27 1HD PRO 27 -7.824 -9.372 3.905 236 H GLU 28 H GLU 28 -5.668 -14.312 4.993 237 HA GLU 28 HA GLU 28 -2.774 -14.012 4.757 238 1HB GLU 28 2HB GLU 28 -3.686 -15.933 5.949 239 2HB GLU 28 1HB GLU 28 -4.578 -16.435 4.511 240 1HG GLU 28 2HG GLU 28 -2.019 -16.208 3.534 241 2HG GLU 28 1HG GLU 28 -1.731 -16.796 5.172 242 H TYR 29 H TYR 29 -5.352 -15.225 2.573 243 HA TYR 29 HA TYR 29 -3.593 -15.625 0.349 244 1HB TYR 29 2HB TYR 29 -5.689 -15.607 -1.018 245 2HB TYR 29 1HB TYR 29 -5.780 -16.679 0.383 246 HD1 TYR 29 HD1 TYR 29 -6.459 -13.097 -0.532 247 HD2 TYR 29 HD2 TYR 29 -7.644 -16.529 1.765 248 HE1 TYR 29 HE1 TYR 29 -8.458 -11.869 0.273 249 HE2 TYR 29 HE2 TYR 29 -9.640 -15.298 2.573 250 HH TYR 29 HH TYR 29 -10.248 -11.927 1.574 251 H TYR 30 H TYR 30 -4.589 -12.780 1.816 252 HA TYR 30 HA TYR 30 -5.147 -10.868 -0.045 253 1HB TYR 30 2HB TYR 30 -4.779 -10.050 2.122 254 2HB TYR 30 1HB TYR 30 -3.218 -10.849 2.266 255 HD1 TYR 30 HD1 TYR 30 -4.821 -8.420 -0.122 256 HD2 TYR 30 HD2 TYR 30 -1.402 -9.409 2.285 257 HE1 TYR 30 HE1 TYR 30 -3.683 -6.353 -0.887 258 HE2 TYR 30 HE2 TYR 30 -0.266 -7.343 1.520 259 HH TYR 30 HH TYR 30 -0.328 -5.661 0.017 260 H GLY 31 H GLY 31 -3.999 -9.641 -1.590 261 1HA GLY 31 2HA GLY 31 -1.320 -10.715 -2.368 262 2HA GLY 31 1HA GLY 31 -2.565 -10.379 -3.581 263 H GLU 32 H GLU 32 0.191 -9.119 -2.839 264 HA GLU 32 HA GLU 32 -0.607 -6.351 -2.230 265 1HB GLU 32 2HB GLU 32 1.548 -7.506 -1.426 266 2HB GLU 32 1HB GLU 32 2.142 -7.269 -3.072 267 1HG GLU 32 2HG GLU 32 0.940 -4.831 -2.108 268 2HG GLU 32 1HG GLU 32 2.159 -5.388 -0.961 269 H ASN 33 H ASN 33 -1.349 -7.822 -4.815 270 HA ASN 33 HA ASN 33 0.044 -6.118 -6.798 271 1HB ASN 33 2HB ASN 33 -1.691 -7.478 -8.331 272 2HB ASN 33 1HB ASN 33 -0.149 -8.166 -7.829 273 1HD2 ASN 33 2HD2 ASN 33 -3.397 -9.371 -5.607 274 2HD2 ASN 33 1HD2 ASN 33 -3.247 -7.733 -6.028 275 H LEU 34 H LEU 34 -1.811 -5.510 -8.649 276 HA LEU 34 HA LEU 34 -3.395 -3.485 -7.263 277 1HB LEU 34 2HB LEU 34 -3.825 -3.991 -10.167 278 2HB LEU 34 1HB LEU 34 -3.618 -2.464 -9.310 279 HG LEU 34 HG LEU 34 -1.479 -4.433 -10.137 280 1HD1 LEU 34 2HD1 LEU 34 -2.089 -1.524 -10.704 281 2HD1 LEU 34 1HD1 LEU 34 -0.521 -2.248 -11.061 282 3HD1 LEU 34 3HD1 LEU 34 -1.973 -2.853 -11.859 283 1HD2 LEU 34 1HD2 LEU 34 -1.584 -2.776 -7.777 284 2HD2 LEU 34 3HD2 LEU 34 -0.294 -3.853 -8.313 285 3HD2 LEU 34 2HD2 LEU 34 -0.331 -2.177 -8.864 286 H ASP 35 H ASP 35 -3.961 -6.717 -8.191 287 HA ASP 35 HA ASP 35 -6.829 -6.355 -8.668 288 1HB ASP 35 2HB ASP 35 -6.514 -9.019 -8.150 289 2HB ASP 35 1HB ASP 35 -6.429 -8.293 -9.750 290 H ALA 36 H ALA 36 -5.047 -8.272 -6.240 291 HA ALA 36 HA ALA 36 -7.300 -8.546 -4.508 292 1HB ALA 36 2HB ALA 36 -4.340 -8.853 -3.994 293 2HB ALA 36 1HB ALA 36 -5.585 -9.279 -2.817 294 3HB ALA 36 3HB ALA 36 -5.495 -10.137 -4.356 295 H LEU 37 H LEU 37 -4.485 -6.436 -4.308 296 HA LEU 37 HA LEU 37 -5.214 -5.118 -1.891 297 1HB LEU 37 2HB LEU 37 -2.988 -4.905 -2.875 298 2HB LEU 37 1HB LEU 37 -3.672 -4.058 -4.261 299 HG LEU 37 HG LEU 37 -4.622 -2.742 -1.930 300 1HD1 LEU 37 2HD1 LEU 37 -2.481 -3.988 -1.032 301 2HD1 LEU 37 1HD1 LEU 37 -1.618 -2.734 -1.924 302 3HD1 LEU 37 3HD1 LEU 37 -2.735 -2.288 -0.634 303 1HD2 LEU 37 2HD2 LEU 37 -3.681 -2.130 -4.436 304 2HD2 LEU 37 1HD2 LEU 37 -4.032 -0.939 -3.186 305 3HD2 LEU 37 3HD2 LEU 37 -2.382 -1.522 -3.409 306 H TRP 38 H TRP 38 -5.762 -4.108 -5.276 307 HA TRP 38 HA TRP 38 -7.330 -1.802 -4.685 308 1HB TRP 38 2HB TRP 38 -6.482 -2.314 -6.946 309 2HB TRP 38 1HB TRP 38 -7.462 -3.767 -6.975 310 HD1 TRP 38 HD1 TRP 38 -9.413 -3.544 -8.394 311 HE1 TRP 38 HE1 TRP 38 -11.097 -1.708 -9.056 312 HE3 TRP 38 HE3 TRP 38 -7.544 0.383 -5.714 313 HZ2 TRP 38 HZ2 TRP 38 -11.569 1.056 -8.537 314 HZ3 TRP 38 HZ3 TRP 38 -8.607 2.606 -5.843 315 HH2 TRP 38 HH2 TRP 38 -10.625 2.948 -7.241 316 H ASP 39 H ASP 39 -8.084 -5.190 -5.011 317 HA ASP 39 HA ASP 39 -10.927 -4.972 -4.763 318 1HB ASP 39 2HB ASP 39 -8.925 -7.102 -4.706 319 2HB ASP 39 1HB ASP 39 -10.266 -7.403 -3.597 320 H ALA 40 H ALA 40 -8.322 -4.927 -2.470 321 HA ALA 40 HA ALA 40 -10.093 -5.257 -0.148 322 1HB ALA 40 2HB ALA 40 -7.466 -5.761 -0.434 323 2HB ALA 40 1HB ALA 40 -7.365 -4.114 0.192 324 3HB ALA 40 3HB ALA 40 -8.189 -5.363 1.127 325 H LEU 41 H LEU 41 -7.804 -2.642 -0.941 326 HA LEU 41 HA LEU 41 -8.774 -0.594 0.587 327 1HB LEU 41 2HB LEU 41 -7.720 -0.601 -2.221 328 2HB LEU 41 1HB LEU 41 -8.292 0.907 -1.511 329 HG LEU 41 HG LEU 41 -6.495 -0.697 0.211 330 1HD1 LEU 41 1HD1 LEU 41 -5.457 -1.000 -2.028 331 2HD1 LEU 41 3HD1 LEU 41 -5.450 0.751 -2.250 332 3HD1 LEU 41 2HD1 LEU 41 -4.467 0.015 -0.978 333 1HD2 LEU 41 2HD2 LEU 41 -7.345 1.552 0.815 334 2HD2 LEU 41 1HD2 LEU 41 -5.585 1.541 0.685 335 3HD2 LEU 41 3HD2 LEU 41 -6.563 2.223 -0.616 336 H THR 42 H THR 42 -9.982 -1.387 -2.618 337 HA THR 42 HA THR 42 -12.342 0.323 -2.236 338 HB THR 42 HB THR 42 -12.776 -0.026 -4.504 339 HG1 THR 42 HG1 THR 42 -11.527 -1.994 -5.426 340 1HG2 THR 42 1HG2 THR 42 -10.507 0.971 -4.101 341 2HG2 THR 42 3HG2 THR 42 -9.815 -0.637 -4.310 342 3HG2 THR 42 2HG2 THR 42 -10.651 0.146 -5.652 343 H GLY 43 H GLY 43 -12.363 -1.599 -0.238 344 1HA GLY 43 2HA GLY 43 -14.802 -2.627 0.010 345 2HA GLY 43 1HA GLY 43 -14.169 -3.755 -1.191 346 H TRP 44 H TRP 44 -12.344 -2.359 1.560 347 HA TRP 44 HA TRP 44 -12.641 -4.709 3.218 348 1HB TRP 44 2HB TRP 44 -11.235 -5.784 1.541 349 2HB TRP 44 1HB TRP 44 -10.075 -4.456 1.627 350 HD1 TRP 44 HD1 TRP 44 -9.012 -4.045 4.192 351 HE1 TRP 44 HE1 TRP 44 -8.240 -5.825 5.890 352 HE3 TRP 44 HE3 TRP 44 -11.477 -8.125 2.371 353 HZ2 TRP 44 HZ2 TRP 44 -8.621 -8.613 6.406 354 HZ3 TRP 44 HZ3 TRP 44 -11.258 -10.329 3.483 355 HH2 TRP 44 HH2 TRP 44 -9.833 -10.579 5.497 356 H VAL 45 H VAL 45 -10.509 -2.064 2.277 357 HA VAL 45 HA VAL 45 -9.416 -1.700 4.934 358 HB VAL 45 HB VAL 45 -9.273 -0.356 2.285 359 1HG1 VAL 45 2HG1 VAL 45 -8.488 1.018 4.860 360 2HG1 VAL 45 1HG1 VAL 45 -8.045 1.560 3.241 361 3HG1 VAL 45 3HG1 VAL 45 -9.739 1.543 3.731 362 1HG2 VAL 45 2HG2 VAL 45 -7.315 -1.301 4.381 363 2HG2 VAL 45 1HG2 VAL 45 -7.617 -2.010 2.794 364 3HG2 VAL 45 3HG2 VAL 45 -6.818 -0.442 2.923 365 H GLU 46 H GLU 46 -9.715 0.404 6.122 366 HA GLU 46 HA GLU 46 -12.582 1.236 6.016 367 1HB GLU 46 2HB GLU 46 -10.732 0.614 8.204 368 2HB GLU 46 1HB GLU 46 -11.551 2.161 8.421 369 1HG GLU 46 2HG GLU 46 -13.164 0.791 9.327 370 2HG GLU 46 1HG GLU 46 -13.659 0.700 7.636 371 H TYR 47 H TYR 47 -12.928 3.255 5.266 372 HA TYR 47 HA TYR 47 -10.633 5.155 5.240 373 1HB TYR 47 2HB TYR 47 -13.188 5.138 3.602 374 2HB TYR 47 1HB TYR 47 -11.848 6.271 3.402 375 HD1 TYR 47 HD2 TYR 47 -9.448 4.714 3.617 376 HD2 TYR 47 HD1 TYR 47 -13.198 3.619 1.820 377 HE1 TYR 47 HE2 TYR 47 -8.283 3.064 2.185 378 HE2 TYR 47 HE1 TYR 47 -12.021 1.975 0.382 379 HH TYR 47 HH TYR 47 -9.654 1.695 -0.517 380 HA PRO 48 HA PRO 48 -10.937 7.471 4.366 381 1HB PRO 48 2HB PRO 48 -9.796 9.554 5.749 382 2HB PRO 48 1HB PRO 48 -11.307 9.683 4.827 383 1HG PRO 48 2HG PRO 48 -10.915 9.504 7.787 384 2HG PRO 48 1HG PRO 48 -12.205 10.302 6.870 385 1HD PRO 48 2HD PRO 48 -12.448 7.820 8.153 386 2HD PRO 48 1HD PRO 48 -13.520 8.415 6.864 387 H LEU 49 H LEU 49 -8.887 6.766 4.018 388 HA LEU 49 HA LEU 49 -7.339 5.790 6.378 389 1HB LEU 49 2HB LEU 49 -7.722 3.934 4.988 390 2HB LEU 49 1HB LEU 49 -7.602 4.896 3.516 391 HG LEU 49 HG LEU 49 -5.100 5.214 4.206 392 1HD1 LEU 49 3HD1 LEU 49 -6.109 3.366 6.228 393 2HD1 LEU 49 2HD1 LEU 49 -4.728 2.707 5.350 394 3HD1 LEU 49 1HD1 LEU 49 -4.586 4.253 6.186 395 1HD2 LEU 49 1HD2 LEU 49 -6.518 3.172 2.751 396 2HD2 LEU 49 3HD2 LEU 49 -4.948 3.898 2.397 397 3HD2 LEU 49 2HD2 LEU 49 -5.056 2.498 3.468 398 H VAL 50 H VAL 50 -4.955 6.083 6.227 399 HA VAL 50 HA VAL 50 -4.208 8.391 4.482 400 HB VAL 50 HB VAL 50 -4.032 8.123 7.415 401 1HG1 VAL 50 2HG1 VAL 50 -1.613 8.921 5.782 402 2HG1 VAL 50 1HG1 VAL 50 -1.872 9.519 7.421 403 3HG1 VAL 50 3HG1 VAL 50 -1.686 7.788 7.133 404 1HG2 VAL 50 3HG2 VAL 50 -5.111 9.912 5.815 405 2HG2 VAL 50 2HG2 VAL 50 -4.356 10.427 7.323 406 3HG2 VAL 50 1HG2 VAL 50 -3.483 10.586 5.798 407 H LEU 51 H LEU 51 -3.006 7.299 2.938 408 HA LEU 51 HA LEU 51 -1.219 5.100 3.713 409 1HB LEU 51 2HB LEU 51 -2.418 5.160 1.506 410 2HB LEU 51 1HB LEU 51 -1.427 6.555 1.069 411 HG LEU 51 HG LEU 51 0.602 5.061 1.594 412 1HD1 LEU 51 3HD1 LEU 51 -1.581 3.255 2.101 413 2HD1 LEU 51 2HD1 LEU 51 -0.540 2.628 0.813 414 3HD1 LEU 51 1HD1 LEU 51 0.142 3.020 2.400 415 1HD2 LEU 51 2HD2 LEU 51 -1.266 4.654 -0.722 416 2HD2 LEU 51 1HD2 LEU 51 0.248 5.567 -0.676 417 3HD2 LEU 51 3HD2 LEU 51 0.270 3.804 -0.631 418 H GLU 52 H GLU 52 -0.081 6.749 5.261 419 HA GLU 52 HA GLU 52 1.592 8.786 4.123 420 1HB GLU 52 2HB GLU 52 1.186 8.880 6.481 421 2HB GLU 52 1HB GLU 52 1.734 7.219 6.709 422 1HG GLU 52 2HG GLU 52 3.995 7.787 6.375 423 2HG GLU 52 1HG GLU 52 3.589 9.308 5.581 424 H TRP 53 H TRP 53 2.584 7.733 2.257 425 HA TRP 53 HA TRP 53 4.294 5.412 2.756 426 1HB TRP 53 2HB TRP 53 3.024 6.218 0.510 427 2HB TRP 53 1HB TRP 53 4.621 6.920 0.221 428 HD1 TRP 53 HD1 TRP 53 6.565 4.920 1.321 429 HE1 TRP 53 HE1 TRP 53 6.796 2.524 0.425 430 HE3 TRP 53 HE3 TRP 53 1.988 4.367 -0.856 431 HZ2 TRP 53 HZ2 TRP 53 5.229 0.609 -0.980 432 HZ3 TRP 53 HZ3 TRP 53 1.372 2.228 -1.937 433 HH2 TRP 53 HH2 TRP 53 2.992 0.352 -2.015 434 H ARG 54 H ARG 54 5.880 6.064 4.174 435 HA ARG 54 HA ARG 54 7.250 8.309 4.657 436 1HB ARG 54 2HB ARG 54 8.425 5.566 4.217 437 2HB ARG 54 1HB ARG 54 9.388 6.913 4.826 438 1HG ARG 54 2HG ARG 54 6.770 6.097 6.099 439 2HG ARG 54 1HG ARG 54 8.315 5.407 6.596 440 1HD ARG 54 2HD ARG 54 8.417 8.321 6.401 441 2HD ARG 54 1HD ARG 54 7.207 7.769 7.560 442 HE ARG 54 HE ARG 54 10.123 7.173 7.713 443 1HH1 ARG 54 2HH1 ARG 54 8.633 4.962 8.934 444 2HH1 ARG 54 1HH1 ARG 54 8.384 5.498 10.561 445 1HH2 ARG 54 1HH2 ARG 54 9.072 8.822 9.851 446 2HH2 ARG 54 2HH2 ARG 54 8.632 7.684 11.081 447 H GLN 55 H GLN 55 9.471 6.468 2.707 448 HA GLN 55 HA GLN 55 9.927 8.900 1.083 449 1HB GLN 55 2HB GLN 55 11.511 6.408 1.649 450 2HB GLN 55 1HB GLN 55 11.922 7.425 0.268 451 1HG GLN 55 2HG GLN 55 11.560 8.588 3.031 452 2HG GLN 55 1HG GLN 55 13.112 7.937 2.500 453 1HE2 GLN 55 2HE2 GLN 55 13.670 11.263 1.331 454 2HE2 GLN 55 1HE2 GLN 55 14.030 10.153 2.564 455 H PHE 56 H PHE 56 8.942 5.532 0.710 456 HA PHE 56 HA PHE 56 7.758 4.527 -1.053 457 1HB PHE 56 2HB PHE 56 6.636 6.712 -1.408 458 2HB PHE 56 1HB PHE 56 7.981 7.225 -2.424 459 HD1 PHE 56 HD1 PHE 56 5.583 4.357 -2.081 460 HD2 PHE 56 HD2 PHE 56 7.858 6.875 -4.714 461 HE1 PHE 56 HE1 PHE 56 4.566 3.234 -4.036 462 HE2 PHE 56 HE2 PHE 56 6.841 5.753 -6.667 463 HZ PHE 56 HZ PHE 56 5.194 3.933 -6.333 464 H GLU 57 H GLU 57 9.812 6.798 -2.891 465 HA GLU 57 HA GLU 57 10.729 5.210 -4.894 466 1HB GLU 57 2HB GLU 57 11.498 7.525 -4.565 467 2HB GLU 57 1HB GLU 57 12.500 7.006 -3.209 468 1HG GLU 57 2HG GLU 57 13.140 5.288 -5.363 469 2HG GLU 57 1HG GLU 57 13.099 6.921 -6.030 470 H GLN 58 H GLN 58 12.598 5.391 -1.832 471 HA GLN 58 HA GLN 58 14.246 3.153 -2.408 472 1HB GLN 58 2HB GLN 58 14.321 3.013 0.216 473 2HB GLN 58 1HB GLN 58 15.006 4.420 -0.598 474 1HG GLN 58 2HG GLN 58 13.316 5.818 0.095 475 2HG GLN 58 1HG GLN 58 12.107 4.532 0.085 476 1HE2 GLN 58 2HE2 GLN 58 12.354 4.447 3.603 477 2HE2 GLN 58 1HE2 GLN 58 11.355 4.657 2.247 478 H SER 59 H SER 59 13.986 0.970 -2.106 479 HA SER 59 HA SER 59 12.962 -1.060 -1.440 480 1HB SER 59 2HB SER 59 11.340 -1.079 0.197 481 2HB SER 59 1HB SER 59 11.964 0.552 0.446 482 HG SER 59 HG SER 59 9.552 0.102 0.090 483 H LYS 60 H LYS 60 11.302 1.469 -3.173 484 HA LYS 60 HA LYS 60 9.267 -0.240 -4.343 485 1HB LYS 60 2HB LYS 60 8.919 2.170 -4.191 486 2HB LYS 60 1HB LYS 60 10.374 2.462 -5.152 487 1HG LYS 60 2HG LYS 60 8.415 0.641 -6.407 488 2HG LYS 60 1HG LYS 60 7.851 2.300 -6.203 489 1HD LYS 60 2HD LYS 60 9.870 3.140 -7.336 490 2HD LYS 60 1HD LYS 60 10.457 1.488 -7.526 491 1HE LYS 60 2HE LYS 60 8.304 0.989 -8.783 492 2HE LYS 60 1HE LYS 60 7.998 2.725 -8.783 493 1HZ LYS 60 1HZ LYS 60 10.553 2.577 -9.627 494 2HZ LYS 60 3HZ LYS 60 9.878 1.191 -10.333 495 3HZ LYS 60 2HZ LYS 60 9.201 2.716 -10.646 496 H GLN 61 H GLN 61 12.368 1.110 -5.443 497 HA GLN 61 HA GLN 61 12.269 -0.351 -7.981 498 1HB GLN 61 2HB GLN 61 13.416 1.893 -7.583 499 2HB GLN 61 1HB GLN 61 14.647 0.994 -6.697 500 1HG GLN 61 2HG GLN 61 13.948 -0.069 -9.379 501 2HG GLN 61 1HG GLN 61 14.800 1.475 -9.362 502 1HE2 GLN 61 2HE2 GLN 61 17.770 0.067 -7.848 503 2HE2 GLN 61 1HE2 GLN 61 16.838 1.486 -7.874 504 H LEU 62 H LEU 62 13.161 -0.986 -4.798 505 HA LEU 62 HA LEU 62 15.285 -2.888 -5.280 506 1HB LEU 62 2HB LEU 62 13.510 -2.319 -2.893 507 2HB LEU 62 1HB LEU 62 14.802 -3.521 -2.869 508 HG LEU 62 HG LEU 62 16.477 -1.831 -3.303 509 1HD1 LEU 62 2HD1 LEU 62 14.107 0.032 -3.667 510 2HD1 LEU 62 1HD1 LEU 62 15.763 0.599 -3.454 511 3HD1 LEU 62 3HD1 LEU 62 15.341 -0.378 -4.860 512 1HD2 LEU 62 2HD2 LEU 62 14.669 -1.723 -1.059 513 2HD2 LEU 62 1HD2 LEU 62 16.411 -1.446 -1.088 514 3HD2 LEU 62 3HD2 LEU 62 15.300 -0.112 -1.397 515 H THR 63 H THR 63 12.045 -3.006 -5.976 516 HA THR 63 HA THR 63 12.019 -5.985 -5.692 517 HB THR 63 HB THR 63 10.247 -5.516 -4.322 518 HG1 THR 63 HG1 THR 63 8.641 -6.173 -5.466 519 1HG2 THR 63 1HG2 THR 63 10.695 -3.040 -4.506 520 2HG2 THR 63 3HG2 THR 63 9.592 -3.009 -5.880 521 3HG2 THR 63 2HG2 THR 63 8.998 -3.464 -4.283 522 H GLU 64 H GLU 64 9.593 -4.071 -7.352 523 HA GLU 64 HA GLU 64 10.565 -3.972 -9.959 524 1HB GLU 64 2HB GLU 64 9.395 -6.119 -10.853 525 2HB GLU 64 1HB GLU 64 10.983 -6.289 -10.104 526 1HG GLU 64 2HG GLU 64 10.153 -7.551 -8.428 527 2HG GLU 64 1HG GLU 64 8.845 -6.406 -8.127 528 H ASN 65 H ASN 65 8.944 -2.272 -8.915 529 HA ASN 65 HA ASN 65 6.937 -1.145 -9.458 530 1HB ASN 65 2HB ASN 65 7.032 -2.693 -11.545 531 2HB ASN 65 1HB ASN 65 5.863 -3.683 -10.672 532 1HD2 ASN 65 2HD2 ASN 65 4.100 -1.029 -12.741 533 2HD2 ASN 65 1HD2 ASN 65 5.295 -2.169 -13.136 534 H GLY 66 H GLY 66 7.473 -3.515 -7.341 535 1HA GLY 66 2HA GLY 66 4.902 -4.439 -6.532 536 2HA GLY 66 1HA GLY 66 6.309 -4.314 -5.470 537 H ALA 67 H ALA 67 6.831 -1.907 -4.880 538 HA ALA 67 HA ALA 67 4.618 -0.844 -3.425 539 1HB ALA 67 3HB ALA 67 7.401 -0.248 -3.755 540 2HB ALA 67 2HB ALA 67 6.486 1.247 -3.947 541 3HB ALA 67 1HB ALA 67 6.313 0.291 -2.476 542 H GLU 68 H GLU 68 6.050 0.133 -6.541 543 HA GLU 68 HA GLU 68 4.440 2.396 -7.005 544 1HB GLU 68 2HB GLU 68 6.367 1.000 -8.431 545 2HB GLU 68 1HB GLU 68 4.915 0.811 -9.414 546 1HG GLU 68 2HG GLU 68 5.931 3.465 -8.358 547 2HG GLU 68 1HG GLU 68 6.221 2.867 -9.991 548 H SER 69 H SER 69 3.694 -1.001 -7.185 549 HA SER 69 HA SER 69 1.247 -0.615 -8.731 550 1HB SER 69 2HB SER 69 2.798 -2.850 -7.714 551 2HB SER 69 1HB SER 69 1.087 -3.070 -7.363 552 HG SER 69 HG SER 69 2.391 -2.730 -9.843 553 H VAL 70 H VAL 70 1.851 -1.579 -5.308 554 HA VAL 70 HA VAL 70 -0.817 -1.401 -4.460 555 HB VAL 70 HB VAL 70 1.684 -0.581 -2.944 556 1HG1 VAL 70 3HG1 VAL 70 -1.204 -0.838 -2.137 557 2HG1 VAL 70 2HG1 VAL 70 0.074 -1.121 -0.960 558 3HG1 VAL 70 1HG1 VAL 70 -0.059 0.448 -1.750 559 1HG2 VAL 70 2HG2 VAL 70 0.952 -3.088 -3.823 560 2HG2 VAL 70 1HG2 VAL 70 1.961 -2.783 -2.409 561 3HG2 VAL 70 3HG2 VAL 70 0.227 -3.042 -2.216 562 H LEU 71 H LEU 71 1.498 0.990 -5.389 563 HA LEU 71 HA LEU 71 -0.006 3.129 -4.173 564 1HB LEU 71 2HB LEU 71 2.511 3.137 -4.670 565 2HB LEU 71 1HB LEU 71 2.050 3.479 -6.340 566 HG LEU 71 HG LEU 71 0.973 5.510 -5.730 567 1HD1 LEU 71 2HD1 LEU 71 1.112 4.371 -2.957 568 2HD1 LEU 71 1HD1 LEU 71 0.987 6.120 -3.184 569 3HD1 LEU 71 3HD1 LEU 71 -0.279 5.054 -3.815 570 1HD2 LEU 71 1HD2 LEU 71 3.525 5.385 -5.678 571 2HD2 LEU 71 3HD2 LEU 71 2.792 6.774 -4.875 572 3HD2 LEU 71 2HD2 LEU 71 3.381 5.413 -3.919 573 H GLN 72 H GLN 72 0.319 1.767 -7.445 574 HA GLN 72 HA GLN 72 -1.253 3.736 -8.760 575 1HB GLN 72 2HB GLN 72 -0.556 0.895 -9.264 576 2HB GLN 72 1HB GLN 72 -2.002 1.488 -10.080 577 1HG GLN 72 2HG GLN 72 -0.643 3.444 -10.904 578 2HG GLN 72 1HG GLN 72 0.789 2.655 -10.243 579 1HE2 GLN 72 2HE2 GLN 72 0.450 -0.143 -12.622 580 2HE2 GLN 72 1HE2 GLN 72 0.647 0.061 -10.948 581 H VAL 73 H VAL 73 -2.094 1.021 -6.761 582 HA VAL 73 HA VAL 73 -4.971 1.256 -7.228 583 HB VAL 73 HB VAL 73 -3.384 -0.315 -5.192 584 1HG1 VAL 73 3HG1 VAL 73 -5.847 0.301 -4.669 585 2HG1 VAL 73 2HG1 VAL 73 -6.238 -0.791 -5.995 586 3HG1 VAL 73 1HG1 VAL 73 -5.386 -1.397 -4.582 587 1HG2 VAL 73 1HG2 VAL 73 -3.909 -0.611 -7.992 588 2HG2 VAL 73 3HG2 VAL 73 -3.019 -1.702 -6.929 589 3HG2 VAL 73 2HG2 VAL 73 -4.766 -1.891 -7.130 590 H PHE 74 H PHE 74 -2.930 1.822 -4.318 591 HA PHE 74 HA PHE 74 -4.856 2.813 -2.606 592 1HB PHE 74 2HB PHE 74 -1.945 3.211 -2.991 593 2HB PHE 74 1HB PHE 74 -2.768 4.460 -2.076 594 HD1 PHE 74 HD1 PHE 74 -1.941 0.876 -2.199 595 HD2 PHE 74 HD2 PHE 74 -3.726 4.013 0.105 596 HE1 PHE 74 HE1 PHE 74 -1.937 -0.598 -0.226 597 HE2 PHE 74 HE2 PHE 74 -3.731 2.527 2.088 598 HZ PHE 74 HZ PHE 74 -2.843 0.237 1.916 599 H ARG 75 H ARG 75 -2.877 4.565 -4.949 600 HA ARG 75 HA ARG 75 -4.179 7.091 -4.700 601 1HB ARG 75 2HB ARG 75 -2.355 5.791 -6.631 602 2HB ARG 75 1HB ARG 75 -3.385 7.044 -7.322 603 1HG ARG 75 2HG ARG 75 -2.506 8.716 -5.943 604 2HG ARG 75 1HG ARG 75 -1.938 7.559 -4.739 605 1HD ARG 75 2HD ARG 75 0.016 8.309 -5.890 606 2HD ARG 75 1HD ARG 75 -0.326 6.699 -6.523 607 HE ARG 75 HE ARG 75 -0.543 7.733 -8.618 608 1HH1 ARG 75 2HH1 ARG 75 -0.734 10.089 -6.158 609 2HH1 ARG 75 1HH1 ARG 75 -1.436 11.307 -7.170 610 1HH2 ARG 75 1HH2 ARG 75 -1.767 9.211 -9.913 611 2HH2 ARG 75 2HH2 ARG 75 -2.020 10.809 -9.296 612 H GLU 76 H GLU 76 -4.791 4.296 -6.894 613 HA GLU 76 HA GLU 76 -6.934 5.492 -8.356 614 1HB GLU 76 2HB GLU 76 -6.302 2.642 -7.585 615 2HB GLU 76 1HB GLU 76 -7.757 3.039 -8.501 616 1HG GLU 76 2HG GLU 76 -5.155 4.167 -9.435 617 2HG GLU 76 1HG GLU 76 -5.480 2.459 -9.735 618 H ALA 77 H ALA 77 -6.727 4.409 -5.105 619 HA ALA 77 HA ALA 77 -9.601 4.089 -4.691 620 1HB ALA 77 3HB ALA 77 -7.642 2.934 -3.409 621 2HB ALA 77 2HB ALA 77 -7.526 4.456 -2.523 622 3HB ALA 77 1HB ALA 77 -9.015 3.513 -2.465 623 H LYS 78 H LYS 78 -7.146 6.404 -3.452 624 HA LYS 78 HA LYS 78 -9.056 8.238 -2.410 625 1HB LYS 78 2HB LYS 78 -7.201 9.690 -2.135 626 2HB LYS 78 1HB LYS 78 -6.536 8.074 -1.950 627 1HG LYS 78 2HG LYS 78 -5.095 8.510 -3.618 628 2HG LYS 78 1HG LYS 78 -6.459 8.678 -4.722 629 1HD LYS 78 2HD LYS 78 -5.160 10.728 -4.792 630 2HD LYS 78 1HD LYS 78 -6.689 11.065 -3.979 631 1HE LYS 78 2HE LYS 78 -5.544 10.733 -1.782 632 2HE LYS 78 1HE LYS 78 -4.017 10.540 -2.645 633 1HZ LYS 78 3HZ LYS 78 -5.755 12.929 -2.904 634 2HZ LYS 78 2HZ LYS 78 -4.461 12.826 -1.808 635 3HZ LYS 78 1HZ LYS 78 -4.171 12.739 -3.481 636 H ALA 79 H ALA 79 -8.218 7.439 -5.605 637 HA ALA 79 HA ALA 79 -8.983 10.078 -6.722 638 1HB ALA 79 2HB ALA 79 -7.242 8.067 -7.568 639 2HB ALA 79 1HB ALA 79 -8.647 7.882 -8.623 640 3HB ALA 79 3HB ALA 79 -7.796 9.429 -8.542 641 H GLU 80 H GLU 80 -9.784 6.784 -7.710 642 HA GLU 80 HA GLU 80 -12.160 7.233 -9.000 643 1HB GLU 80 2HB GLU 80 -11.644 4.907 -7.127 644 2HB GLU 80 1HB GLU 80 -12.748 4.941 -8.497 645 1HG GLU 80 2HG GLU 80 -10.050 5.763 -9.243 646 2HG GLU 80 1HG GLU 80 -10.104 4.122 -8.597 647 H GLY 81 H GLY 81 -12.069 6.292 -5.509 648 1HA GLY 81 2HA GLY 81 -14.114 8.300 -4.916 649 2HA GLY 81 1HA GLY 81 -14.748 6.653 -4.908 650 H ALA 82 H ALA 82 -12.336 5.424 -3.866 651 HA ALA 82 HA ALA 82 -12.780 5.305 -1.167 652 1HB ALA 82 1HB ALA 82 -10.860 4.286 -2.783 653 2HB ALA 82 3HB ALA 82 -9.904 5.444 -1.858 654 3HB ALA 82 2HB ALA 82 -10.803 4.176 -1.023 655 H ASP 83 H ASP 83 -11.866 6.343 0.703 656 HA ASP 83 HA ASP 83 -11.124 9.194 0.207 657 1HB ASP 83 2HB ASP 83 -12.540 7.773 2.452 658 2HB ASP 83 1HB ASP 83 -11.701 9.292 2.772 659 H ILE 84 H ILE 84 -9.018 7.734 -0.263 660 HA ILE 84 HA ILE 84 -7.520 7.345 2.276 661 HB ILE 84 HB ILE 84 -6.998 6.423 -0.564 662 1HG1 ILE 84 2HG1 ILE 84 -7.232 4.577 1.742 663 2HG1 ILE 84 1HG1 ILE 84 -8.714 5.399 1.255 664 1HG2 ILE 84 3HG2 ILE 84 -4.930 7.004 0.877 665 2HG2 ILE 84 2HG2 ILE 84 -5.424 5.650 1.895 666 3HG2 ILE 84 1HG2 ILE 84 -5.003 5.376 0.200 667 1HD1 ILE 84 3HD1 ILE 84 -6.949 4.082 -0.793 668 2HD1 ILE 84 2HD1 ILE 84 -8.124 3.137 0.119 669 3HD1 ILE 84 1HD1 ILE 84 -8.664 4.470 -0.899 670 H THR 85 H THR 85 -5.397 8.263 2.482 671 HA THR 85 HA THR 85 -4.976 10.673 0.771 672 HB THR 85 HB THR 85 -4.171 11.839 2.643 673 HG1 THR 85 HG1 THR 85 -2.835 10.824 3.866 674 1HG2 THR 85 2HG2 THR 85 -6.306 9.909 3.559 675 2HG2 THR 85 1HG2 THR 85 -5.747 11.248 4.562 676 3HG2 THR 85 3HG2 THR 85 -6.513 11.570 3.005 677 H ILE 86 H ILE 86 -3.600 9.716 -0.757 678 HA ILE 86 HA ILE 86 -1.398 8.022 0.107 679 HB ILE 86 HB ILE 86 -2.553 8.911 -2.457 680 1HG1 ILE 86 2HG1 ILE 86 -2.220 6.614 -3.029 681 2HG1 ILE 86 1HG1 ILE 86 -0.997 6.404 -1.781 682 1HG2 ILE 86 2HG2 ILE 86 -0.263 9.834 -2.694 683 2HG2 ILE 86 1HG2 ILE 86 0.407 8.259 -2.269 684 3HG2 ILE 86 3HG2 ILE 86 -0.514 8.453 -3.760 685 1HD1 ILE 86 3HD1 ILE 86 -3.375 7.323 -0.495 686 2HD1 ILE 86 2HD1 ILE 86 -3.830 6.013 -1.579 687 3HD1 ILE 86 1HD1 ILE 86 -2.605 5.743 -0.339 688 H ILE 87 H ILE 87 0.222 8.916 1.213 689 HA ILE 87 HA ILE 87 0.895 11.749 0.890 690 HB ILE 87 HB ILE 87 2.195 9.540 2.510 691 1HG1 ILE 87 2HG1 ILE 87 0.234 11.766 3.113 692 2HG1 ILE 87 1HG1 ILE 87 0.030 10.035 3.388 693 1HG2 ILE 87 2HG2 ILE 87 3.584 11.665 1.733 694 2HG2 ILE 87 1HG2 ILE 87 2.652 12.462 2.999 695 3HG2 ILE 87 3HG2 ILE 87 3.683 11.090 3.396 696 1HD1 ILE 87 2HD1 ILE 87 2.241 10.441 4.870 697 2HD1 ILE 87 1HD1 ILE 87 1.525 12.047 4.994 698 3HD1 ILE 87 3HD1 ILE 87 0.615 10.634 5.526 699 H LEU 88 H LEU 88 3.232 9.055 0.897 700 HA LEU 88 HA LEU 88 4.939 8.545 -0.648 701 1HB LEU 88 2HB LEU 88 3.779 10.644 -2.487 702 2HB LEU 88 1HB LEU 88 4.724 9.218 -2.915 703 HG LEU 88 HG LEU 88 1.912 9.236 -1.784 704 1HD1 LEU 88 3HD1 LEU 88 3.111 8.667 -4.491 705 2HD1 LEU 88 2HD1 LEU 88 1.554 7.986 -4.022 706 3HD1 LEU 88 1HD1 LEU 88 1.769 9.736 -4.087 707 1HD2 LEU 88 1HD2 LEU 88 3.986 7.244 -1.671 708 2HD2 LEU 88 3HD2 LEU 88 2.330 7.139 -1.073 709 3HD2 LEU 88 2HD2 LEU 88 2.699 6.678 -2.733 710 H SER 89 HN SER 89 5.683 10.114 1.367 711 HA SER 89 HA SER 89 7.917 11.557 0.453 712 1HB SER 89 2HB SER 89 6.619 13.254 -0.538 713 2HB SER 89 1HB SER 89 5.408 13.202 0.745 714 HG SER 89 HG SER 89 8.105 13.946 1.195 No H/Q in entry = 714 Start of MODEL 16 1 1H LYS 1 1H LYS 1 -8.476 5.951 8.832 2 2H LYS 1 3H LYS 1 -8.682 4.871 7.543 3 3H LYS 1 2H LYS 1 -9.452 4.575 9.028 4 HA LYS 1 HA LYS 1 -7.466 4.028 10.102 5 1HB LYS 1 2HB LYS 1 -7.960 2.873 7.419 6 2HB LYS 1 1HB LYS 1 -6.366 2.546 8.100 7 1HG LYS 1 2HG LYS 1 -8.968 2.082 9.584 8 2HG LYS 1 1HG LYS 1 -8.090 0.825 8.713 9 1HD LYS 1 2HD LYS 1 -6.170 2.106 10.328 10 2HD LYS 1 1HD LYS 1 -7.587 1.889 11.355 11 1HE LYS 1 2HE LYS 1 -7.593 -0.529 10.260 12 2HE LYS 1 1HE LYS 1 -5.882 -0.176 10.016 13 1HZ LYS 1 3HZ LYS 1 -5.739 0.371 12.397 14 2HZ LYS 1 2HZ LYS 1 -7.356 -0.112 12.593 15 3HZ LYS 1 1HZ LYS 1 -6.177 -1.244 12.124 16 H LYS 2 H LYS 2 -4.999 3.684 9.725 17 HA LYS 2 HA LYS 2 -3.891 5.878 8.041 18 1HB LYS 2 2HB LYS 2 -3.903 6.892 10.186 19 2HB LYS 2 1HB LYS 2 -3.418 5.396 10.983 20 1HG LYS 2 2HG LYS 2 -1.225 5.822 10.647 21 2HG LYS 2 1HG LYS 2 -1.494 6.222 8.950 22 1HD LYS 2 2HD LYS 2 -2.264 8.475 9.598 23 2HD LYS 2 1HD LYS 2 -1.997 8.078 11.296 24 1HE LYS 2 2HE LYS 2 0.302 7.613 9.474 25 2HE LYS 2 1HE LYS 2 -0.131 9.299 9.765 26 1HZ LYS 2 3HZ LYS 2 -0.164 7.734 12.157 27 2HZ LYS 2 2HZ LYS 2 1.361 7.715 11.407 28 3HZ LYS 2 1HZ LYS 2 0.638 9.192 11.833 29 H ALA 3 H ALA 3 -2.943 4.487 6.559 30 HA ALA 3 HA ALA 3 -1.311 2.225 7.519 31 1HB ALA 3 1HB ALA 3 -2.524 3.053 4.978 32 2HB ALA 3 3HB ALA 3 -0.878 2.450 4.792 33 3HB ALA 3 2HB ALA 3 -2.109 1.436 5.545 34 H VAL 4 H VAL 4 0.976 2.152 7.246 35 HA VAL 4 HA VAL 4 2.248 4.673 6.320 36 HB VAL 4 HB VAL 4 2.659 3.313 8.990 37 1HG1 VAL 4 3HG1 VAL 4 4.585 4.746 7.297 38 2HG1 VAL 4 2HG1 VAL 4 4.416 5.446 8.907 39 3HG1 VAL 4 1HG1 VAL 4 4.869 3.751 8.726 40 1HG2 VAL 4 1HG2 VAL 4 0.928 5.193 8.551 41 2HG2 VAL 4 3HG2 VAL 4 2.035 5.403 9.907 42 3HG2 VAL 4 2HG2 VAL 4 2.328 6.253 8.390 43 H ILE 5 H ILE 5 3.740 4.175 4.848 44 HA ILE 5 HA ILE 5 4.834 1.424 4.741 45 HB ILE 5 HB ILE 5 5.378 3.645 2.766 46 1HG1 ILE 5 2HG1 ILE 5 2.830 3.135 3.413 47 2HG1 ILE 5 1HG1 ILE 5 3.309 3.416 1.755 48 1HG2 ILE 5 2HG2 ILE 5 5.761 0.732 2.927 49 2HG2 ILE 5 1HG2 ILE 5 5.074 1.285 1.401 50 3HG2 ILE 5 3HG2 ILE 5 6.615 1.936 1.959 51 1HD1 ILE 5 3HD1 ILE 5 3.558 0.920 1.484 52 2HD1 ILE 5 2HD1 ILE 5 2.856 0.742 3.092 53 3HD1 ILE 5 1HD1 ILE 5 1.908 1.460 1.788 54 H ASN 6 H ASN 6 6.833 1.045 5.579 55 HA ASN 6 HA ASN 6 8.591 3.423 5.990 56 1HB ASN 6 2HB ASN 6 8.992 0.885 7.528 57 2HB ASN 6 1HB ASN 6 9.301 2.553 8.022 58 1HD2 ASN 6 2HD2 ASN 6 6.171 1.283 9.717 59 2HD2 ASN 6 1HD2 ASN 6 7.765 0.702 9.643 60 H GLY 7 H GLY 7 9.825 3.332 4.127 61 1HA GLY 7 2HA GLY 7 10.771 0.858 2.986 62 2HA GLY 7 1HA GLY 7 11.347 2.475 2.559 63 H GLU 8 H GLU 8 11.660 2.544 5.758 64 HA GLU 8 HA GLU 8 14.510 1.929 5.622 65 1HB GLU 8 2HB GLU 8 13.837 3.901 6.871 66 2HB GLU 8 1HB GLU 8 12.766 2.934 7.884 67 1HG GLU 8 2HG GLU 8 14.465 2.304 9.232 68 2HG GLU 8 1HG GLU 8 15.482 1.872 7.857 69 H GLN 9 H GLN 9 11.677 0.263 6.419 70 HA GLN 9 HA GLN 9 13.263 -1.811 7.873 71 1HB GLN 9 2HB GLN 9 11.431 -0.601 9.195 72 2HB GLN 9 1HB GLN 9 10.281 -1.414 8.131 73 1HG GLN 9 2HG GLN 9 10.377 -3.094 9.659 74 2HG GLN 9 1HG GLN 9 11.906 -3.494 8.876 75 1HE2 GLN 9 2HE2 GLN 9 11.997 -1.507 12.479 76 2HE2 GLN 9 1HE2 GLN 9 10.610 -1.394 11.508 77 H ILE 10 H ILE 10 11.206 -1.071 5.237 78 HA ILE 10 HA ILE 10 10.338 -3.774 4.661 79 HB ILE 10 HB ILE 10 10.528 -1.301 2.919 80 1HG1 ILE 10 2HG1 ILE 10 8.909 -1.261 4.837 81 2HG1 ILE 10 1HG1 ILE 10 8.121 -1.172 3.263 82 1HG2 ILE 10 1HG2 ILE 10 10.097 -4.076 2.222 83 2HG2 ILE 10 3HG2 ILE 10 8.653 -3.125 1.873 84 3HG2 ILE 10 2HG2 ILE 10 10.202 -2.670 1.163 85 1HD1 ILE 10 2HD1 ILE 10 8.110 -3.831 3.538 86 2HD1 ILE 10 1HD1 ILE 10 8.154 -3.403 5.248 87 3HD1 ILE 10 3HD1 ILE 10 6.836 -2.828 4.230 88 H ARG 11 H ARG 11 12.108 -5.157 4.572 89 HA ARG 11 HA ARG 11 14.611 -4.568 3.303 90 1HB ARG 11 2HB ARG 11 13.722 -7.385 3.098 91 2HB ARG 11 1HB ARG 11 15.191 -6.719 3.814 92 1HG ARG 11 2HG ARG 11 13.725 -5.908 5.737 93 2HG ARG 11 1HG ARG 11 12.448 -6.920 5.056 94 1HD ARG 11 2HD ARG 11 13.639 -8.909 5.458 95 2HD ARG 11 1HD ARG 11 15.182 -8.066 5.596 96 HE ARG 11 HE ARG 11 13.085 -7.603 7.662 97 1HH1 ARG 11 2HH1 ARG 11 16.287 -7.163 7.130 98 2HH1 ARG 11 1HH1 ARG 11 16.858 -8.025 8.518 99 1HH2 ARG 11 1HH2 ARG 11 13.764 -9.403 9.265 100 2HH2 ARG 11 2HH2 ARG 11 15.430 -9.294 9.728 101 H SER 12 H SER 12 11.665 -6.134 2.146 102 HA SER 12 HA SER 12 12.319 -5.300 -0.615 103 1HB SER 12 2HB SER 12 13.225 -7.695 -0.104 104 2HB SER 12 1HB SER 12 11.529 -8.170 -0.134 105 HG SER 12 HG SER 12 11.694 -8.134 -2.219 106 H ILE 13 H ILE 13 10.306 -6.088 -2.055 107 HA ILE 13 HA ILE 13 7.996 -4.830 -1.017 108 HB ILE 13 HB ILE 13 8.454 -5.421 -3.451 109 1HG1 ILE 13 2HG1 ILE 13 5.940 -6.063 -3.801 110 2HG1 ILE 13 1HG1 ILE 13 5.834 -5.870 -2.050 111 1HG2 ILE 13 2HG2 ILE 13 8.524 -8.013 -2.406 112 2HG2 ILE 13 1HG2 ILE 13 6.990 -7.930 -3.271 113 3HG2 ILE 13 3HG2 ILE 13 8.498 -7.578 -4.115 114 1HD1 ILE 13 1HD1 ILE 13 7.193 -3.718 -3.616 115 2HD1 ILE 13 3HD1 ILE 13 5.433 -3.807 -3.682 116 3HD1 ILE 13 2HD1 ILE 13 6.248 -3.599 -2.132 117 H SER 14 H SER 14 9.289 -7.960 -0.392 118 HA SER 14 HA SER 14 6.931 -9.395 0.295 119 1HB SER 14 2HB SER 14 8.831 -10.745 0.296 120 2HB SER 14 1HB SER 14 9.812 -9.538 1.122 121 HG SER 14 HG SER 14 9.135 -10.272 2.982 122 H ASP 15 H ASP 15 8.999 -7.235 2.244 123 HA ASP 15 HA ASP 15 7.342 -7.497 4.607 124 1HB ASP 15 2HB ASP 15 9.794 -6.114 3.822 125 2HB ASP 15 1HB ASP 15 8.774 -5.129 4.864 126 H LEU 16 H LEU 16 7.315 -5.597 1.752 127 HA LEU 16 HA LEU 16 5.767 -3.360 2.651 128 1HB LEU 16 2HB LEU 16 6.963 -3.603 0.415 129 2HB LEU 16 1HB LEU 16 5.639 -4.645 -0.088 130 HG LEU 16 HG LEU 16 4.319 -2.870 -0.543 131 1HD1 LEU 16 3HD1 LEU 16 5.177 -1.711 2.127 132 2HD1 LEU 16 2HD1 LEU 16 3.985 -0.969 1.063 133 3HD1 LEU 16 1HD1 LEU 16 3.666 -2.548 1.772 134 1HD2 LEU 16 1HD2 LEU 16 6.935 -2.053 -0.788 135 2HD2 LEU 16 3HD2 LEU 16 5.533 -1.171 -1.396 136 3HD2 LEU 16 2HD2 LEU 16 6.221 -0.762 0.177 137 H HIS 17 H HIS 17 4.806 -6.432 1.088 138 HA HIS 17 HA HIS 17 2.017 -6.077 1.196 139 1HB HIS 17 2HB HIS 17 3.554 -8.643 1.643 140 2HB HIS 17 1HB HIS 17 1.889 -8.512 1.066 141 HD1 HIS 17 HD1 HIS 17 2.867 -9.886 -1.048 142 HD2 HIS 17 HD2 HIS 17 4.266 -5.977 -0.650 143 HE1 HIS 17 HE1 HIS 17 3.902 -9.264 -3.271 144 H GLN 18 H GLN 18 4.315 -6.771 3.680 145 HA GLN 18 HA GLN 18 2.329 -7.667 5.622 146 1HB GLN 18 2HB GLN 18 5.157 -6.745 6.163 147 2HB GLN 18 1HB GLN 18 4.157 -7.774 7.189 148 1HG GLN 18 2HG GLN 18 4.091 -9.446 5.291 149 2HG GLN 18 1HG GLN 18 5.300 -8.457 4.469 150 1HE2 GLN 18 2HE2 GLN 18 6.645 -11.127 7.029 151 2HE2 GLN 18 1HE2 GLN 18 5.184 -11.217 6.171 152 H THR 19 H THR 19 3.939 -4.697 4.785 153 HA THR 19 HA THR 19 3.046 -3.231 7.113 154 HB THR 19 HB THR 19 4.101 -2.364 4.419 155 HG1 THR 19 HG1 THR 19 5.825 -1.670 5.824 156 1HG2 THR 19 2HG2 THR 19 2.839 -0.775 6.598 157 2HG2 THR 19 1HG2 THR 19 4.310 -0.120 5.878 158 3HG2 THR 19 3HG2 THR 19 2.905 -0.456 4.865 159 H LEU 20 H LEU 20 1.791 -3.728 3.896 160 HA LEU 20 HA LEU 20 -0.485 -1.925 4.317 161 1HB LEU 20 2HB LEU 20 -0.462 -4.030 2.183 162 2HB LEU 20 1HB LEU 20 -1.083 -2.378 2.108 163 HG LEU 20 HG LEU 20 1.816 -3.201 2.190 164 1HD1 LEU 20 3HD1 LEU 20 -0.057 -2.813 0.044 165 2HD1 LEU 20 2HD1 LEU 20 1.190 -1.568 -0.041 166 3HD1 LEU 20 1HD1 LEU 20 1.644 -3.272 -0.053 167 1HD2 LEU 20 2HD2 LEU 20 1.000 -1.003 3.374 168 2HD2 LEU 20 1HD2 LEU 20 2.404 -0.940 2.309 169 3HD2 LEU 20 3HD2 LEU 20 0.829 -0.403 1.724 170 H LYS 21 H LYS 21 0.290 -5.321 4.463 171 HA LYS 21 HA LYS 21 -2.442 -6.217 4.925 172 1HB LYS 21 2HB LYS 21 -0.835 -7.815 4.075 173 2HB LYS 21 1HB LYS 21 0.255 -7.504 5.429 174 1HG LYS 21 2HG LYS 21 -0.871 -8.921 6.786 175 2HG LYS 21 1HG LYS 21 -2.432 -8.251 6.307 176 1HD LYS 21 2HD LYS 21 -2.790 -9.882 4.773 177 2HD LYS 21 1HD LYS 21 -1.127 -9.817 4.189 178 1HE LYS 21 2HE LYS 21 -1.432 -11.985 5.188 179 2HE LYS 21 1HE LYS 21 -0.443 -11.039 6.302 180 1HZ LYS 21 1HZ LYS 21 -3.099 -10.531 6.932 181 2HZ LYS 21 3HZ LYS 21 -2.966 -12.211 6.745 182 3HZ LYS 21 2HZ LYS 21 -1.962 -11.398 7.848 183 H LYS 22 H LYS 22 0.065 -4.794 6.813 184 HA LYS 22 HA LYS 22 -1.036 -5.714 9.384 185 1HB LYS 22 2HB LYS 22 1.298 -5.483 9.482 186 2HB LYS 22 1HB LYS 22 1.288 -4.000 8.530 187 1HG LYS 22 2HG LYS 22 1.761 -3.477 10.877 188 2HG LYS 22 1HG LYS 22 0.188 -2.820 10.418 189 1HD LYS 22 2HD LYS 22 -0.878 -4.894 11.363 190 2HD LYS 22 1HD LYS 22 0.710 -5.375 11.964 191 1HE LYS 22 2HE LYS 22 -0.413 -2.658 12.618 192 2HE LYS 22 1HE LYS 22 -0.873 -4.071 13.568 193 1HZ LYS 22 2HZ LYS 22 1.851 -4.242 13.298 194 2HZ LYS 22 1HZ LYS 22 1.560 -2.595 13.598 195 3HZ LYS 22 3HZ LYS 22 1.001 -3.766 14.690 196 H GLU 23 H GLU 23 -0.806 -2.643 7.554 197 HA GLU 23 HA GLU 23 -2.367 -1.209 9.555 198 1HB GLU 23 2HB GLU 23 -1.840 -0.346 6.710 199 2HB GLU 23 1HB GLU 23 -2.190 0.682 8.099 200 1HG GLU 23 2HG GLU 23 0.206 -1.130 8.163 201 2HG GLU 23 1HG GLU 23 0.297 0.404 7.299 202 H LEU 24 H LEU 24 -2.947 -2.298 6.266 203 HA LEU 24 HA LEU 24 -5.772 -1.654 6.328 204 1HB LEU 24 2HB LEU 24 -4.455 -3.619 4.447 205 2HB LEU 24 1HB LEU 24 -5.851 -2.584 4.143 206 HG LEU 24 HG LEU 24 -3.170 -1.377 4.802 207 1HD1 LEU 24 3HD1 LEU 24 -2.997 -3.003 2.859 208 2HD1 LEU 24 2HD1 LEU 24 -4.131 -1.960 2.001 209 3HD1 LEU 24 1HD1 LEU 24 -2.561 -1.334 2.502 210 1HD2 LEU 24 1HD2 LEU 24 -5.651 -0.300 4.532 211 2HD2 LEU 24 3HD2 LEU 24 -4.160 0.576 4.198 212 3HD2 LEU 24 2HD2 LEU 24 -5.059 -0.169 2.875 213 H ALA 25 H ALA 25 -3.826 -4.323 7.357 214 HA ALA 25 HA ALA 25 -4.412 -6.331 8.417 215 1HB ALA 25 2HB ALA 25 -6.323 -4.459 9.203 216 2HB ALA 25 1HB ALA 25 -7.281 -5.825 8.630 217 3HB ALA 25 3HB ALA 25 -6.090 -6.059 9.909 218 H LEU 26 H LEU 26 -4.266 -6.430 5.693 219 HA LEU 26 HA LEU 26 -6.658 -7.445 4.434 220 1HB LEU 26 2HB LEU 26 -3.796 -7.997 3.599 221 2HB LEU 26 1HB LEU 26 -5.229 -7.981 2.575 222 HG LEU 26 HG LEU 26 -4.248 -5.548 4.082 223 1HD1 LEU 26 1HD1 LEU 26 -3.519 -6.697 1.446 224 2HD1 LEU 26 3HD1 LEU 26 -3.835 -4.964 1.479 225 3HD1 LEU 26 2HD1 LEU 26 -2.580 -5.652 2.512 226 1HD2 LEU 26 3HD2 LEU 26 -6.722 -6.117 2.999 227 2HD2 LEU 26 2HD2 LEU 26 -6.075 -4.492 3.237 228 3HD2 LEU 26 1HD2 LEU 26 -5.912 -5.286 1.670 229 HA PRO 27 HA PRO 27 -6.619 -11.647 5.678 230 1HB PRO 27 2HB PRO 27 -7.379 -12.909 3.360 231 2HB PRO 27 1HB PRO 27 -8.484 -11.960 4.371 232 1HG PRO 27 2HG PRO 27 -7.258 -11.248 1.748 233 2HG PRO 27 1HG PRO 27 -8.775 -10.683 2.466 234 1HD PRO 27 2HD PRO 27 -6.341 -9.258 2.382 235 2HD PRO 27 1HD PRO 27 -7.751 -8.844 3.380 236 H GLU 28 H GLU 28 -5.731 -13.779 5.273 237 HA GLU 28 HA GLU 28 -2.970 -13.844 4.951 238 1HB GLU 28 2HB GLU 28 -3.447 -16.356 4.438 239 2HB GLU 28 1HB GLU 28 -3.932 -15.688 5.996 240 1HG GLU 28 2HG GLU 28 -6.071 -15.230 4.173 241 2HG GLU 28 1HG GLU 28 -5.580 -16.914 4.003 242 H TYR 29 H TYR 29 -5.252 -15.163 2.527 243 HA TYR 29 HA TYR 29 -3.340 -15.530 0.488 244 1HB TYR 29 2HB TYR 29 -5.393 -15.338 -1.045 245 2HB TYR 29 1HB TYR 29 -5.448 -16.578 0.214 246 HD1 TYR 29 HD1 TYR 29 -6.531 -13.122 -0.653 247 HD2 TYR 29 HD2 TYR 29 -7.019 -16.474 1.998 248 HE1 TYR 29 HE1 TYR 29 -8.575 -12.081 0.294 249 HE2 TYR 29 HE2 TYR 29 -9.063 -15.428 2.943 250 HH TYR 29 HH TYR 29 -10.580 -13.782 2.671 251 H TYR 30 H TYR 30 -4.618 -12.624 1.710 252 HA TYR 30 HA TYR 30 -4.960 -10.730 -0.129 253 1HB TYR 30 2HB TYR 30 -4.567 -9.883 2.025 254 2HB TYR 30 1HB TYR 30 -3.012 -10.701 2.168 255 HD1 TYR 30 HD1 TYR 30 -4.210 -8.764 -0.769 256 HD2 TYR 30 HD2 TYR 30 -1.584 -8.839 2.630 257 HE1 TYR 30 HE1 TYR 30 -3.059 -6.734 -1.612 258 HE2 TYR 30 HE2 TYR 30 -0.430 -6.815 1.786 259 HH TYR 30 HH TYR 30 -0.170 -5.782 -0.779 260 H GLY 31 H GLY 31 -4.226 -10.750 -2.193 261 1HA GLY 31 2HA GLY 31 -1.779 -11.799 -3.119 262 2HA GLY 31 1HA GLY 31 -2.711 -10.567 -3.977 263 H GLU 32 H GLU 32 -1.968 -8.495 -3.980 264 HA GLU 32 HA GLU 32 -0.601 -6.987 -2.171 265 1HB GLU 32 2HB GLU 32 1.849 -7.365 -2.834 266 2HB GLU 32 1HB GLU 32 1.131 -8.583 -1.782 267 1HG GLU 32 2HG GLU 32 1.894 -10.064 -3.330 268 2HG GLU 32 1HG GLU 32 0.490 -9.556 -4.268 269 H ASN 33 H ASN 33 -0.996 -7.994 -5.443 270 HA ASN 33 HA ASN 33 0.338 -5.649 -6.580 271 1HB ASN 33 2HB ASN 33 -1.539 -7.193 -8.232 272 2HB ASN 33 1HB ASN 33 0.087 -6.650 -8.606 273 1HD2 ASN 33 2HD2 ASN 33 -0.472 -10.319 -6.882 274 2HD2 ASN 33 1HD2 ASN 33 -1.764 -9.225 -6.992 275 H LEU 34 H LEU 34 -1.656 -5.155 -8.626 276 HA LEU 34 HA LEU 34 -3.298 -3.279 -7.087 277 1HB LEU 34 2HB LEU 34 -4.198 -3.316 -9.783 278 2HB LEU 34 1HB LEU 34 -3.227 -2.085 -8.988 279 HG LEU 34 HG LEU 34 -2.106 -4.577 -10.304 280 1HD1 LEU 34 2HD1 LEU 34 -2.530 -1.754 -11.257 281 2HD1 LEU 34 1HD1 LEU 34 -1.196 -2.717 -11.892 282 3HD1 LEU 34 3HD1 LEU 34 -2.859 -3.268 -12.099 283 1HD2 LEU 34 3HD2 LEU 34 -1.013 -2.825 -8.386 284 2HD2 LEU 34 2HD2 LEU 34 -0.131 -3.990 -9.374 285 3HD2 LEU 34 1HD2 LEU 34 -0.313 -2.325 -9.925 286 H ASP 35 H ASP 35 -3.648 -6.500 -8.015 287 HA ASP 35 HA ASP 35 -6.542 -6.370 -8.438 288 1HB ASP 35 2HB ASP 35 -5.985 -9.000 -7.888 289 2HB ASP 35 1HB ASP 35 -6.043 -8.289 -9.496 290 H ALA 36 H ALA 36 -4.535 -8.042 -5.978 291 HA ALA 36 HA ALA 36 -6.776 -8.466 -4.235 292 1HB ALA 36 3HB ALA 36 -3.900 -9.000 -4.192 293 2HB ALA 36 2HB ALA 36 -4.557 -8.618 -2.600 294 3HB ALA 36 1HB ALA 36 -5.231 -9.957 -3.531 295 H LEU 37 H LEU 37 -4.147 -6.114 -4.143 296 HA LEU 37 HA LEU 37 -4.941 -4.814 -1.731 297 1HB LEU 37 2HB LEU 37 -2.769 -4.436 -2.906 298 2HB LEU 37 1HB LEU 37 -3.647 -3.533 -4.141 299 HG LEU 37 HG LEU 37 -4.536 -2.471 -1.705 300 1HD1 LEU 37 1HD1 LEU 37 -1.543 -2.950 -1.728 301 2HD1 LEU 37 3HD1 LEU 37 -2.330 -1.754 -0.699 302 3HD1 LEU 37 2HD1 LEU 37 -2.696 -3.467 -0.498 303 1HD2 LEU 37 3HD2 LEU 37 -2.749 -1.621 -3.951 304 2HD2 LEU 37 2HD2 LEU 37 -4.316 -0.984 -3.462 305 3HD2 LEU 37 1HD2 LEU 37 -2.872 -0.574 -2.536 306 H TRP 38 H TRP 38 -5.582 -3.864 -5.110 307 HA TRP 38 HA TRP 38 -7.397 -1.763 -4.562 308 1HB TRP 38 2HB TRP 38 -6.478 -2.261 -6.810 309 2HB TRP 38 1HB TRP 38 -7.368 -3.771 -6.817 310 HD1 TRP 38 HD1 TRP 38 -9.317 -3.697 -8.247 311 HE1 TRP 38 HE1 TRP 38 -11.113 -1.987 -8.949 312 HE3 TRP 38 HE3 TRP 38 -7.728 0.397 -5.623 313 HZ2 TRP 38 HZ2 TRP 38 -11.768 0.747 -8.484 314 HZ3 TRP 38 HZ3 TRP 38 -8.939 2.541 -5.804 315 HH2 TRP 38 HH2 TRP 38 -10.962 2.721 -7.219 316 H ASP 39 H ASP 39 -7.852 -5.223 -4.863 317 HA ASP 39 HA ASP 39 -10.696 -5.254 -4.600 318 1HB ASP 39 2HB ASP 39 -8.512 -7.200 -4.452 319 2HB ASP 39 1HB ASP 39 -9.845 -7.581 -3.359 320 H ALA 40 H ALA 40 -8.112 -4.950 -2.295 321 HA ALA 40 HA ALA 40 -9.875 -5.336 0.022 322 1HB ALA 40 1HB ALA 40 -7.380 -5.883 -0.003 323 2HB ALA 40 3HB ALA 40 -7.094 -4.143 0.050 324 3HB ALA 40 2HB ALA 40 -7.947 -4.938 1.375 325 H LEU 41 H LEU 41 -7.746 -2.600 -0.782 326 HA LEU 41 HA LEU 41 -8.853 -0.597 0.694 327 1HB LEU 41 2HB LEU 41 -7.809 -0.548 -2.123 328 2HB LEU 41 1HB LEU 41 -8.391 0.930 -1.359 329 HG LEU 41 HG LEU 41 -6.466 -0.797 0.146 330 1HD1 LEU 41 1HD1 LEU 41 -5.506 -0.533 -2.149 331 2HD1 LEU 41 3HD1 LEU 41 -5.638 1.216 -1.973 332 3HD1 LEU 41 2HD1 LEU 41 -4.557 0.302 -0.918 333 1HD2 LEU 41 1HD2 LEU 41 -7.726 1.513 0.754 334 2HD2 LEU 41 3HD2 LEU 41 -6.146 1.077 1.401 335 3HD2 LEU 41 2HD2 LEU 41 -6.262 2.158 0.012 336 H THR 42 H THR 42 -10.022 -1.500 -2.505 337 HA THR 42 HA THR 42 -12.444 0.122 -2.153 338 HB THR 42 HB THR 42 -12.870 -0.287 -4.411 339 HG1 THR 42 HG1 THR 42 -12.724 -2.221 -5.204 340 1HG2 THR 42 1HG2 THR 42 -10.606 0.763 -3.997 341 2HG2 THR 42 3HG2 THR 42 -9.896 -0.830 -4.261 342 3HG2 THR 42 2HG2 THR 42 -10.779 -0.030 -5.562 343 H GLY 43 H GLY 43 -12.372 -1.774 -0.122 344 1HA GLY 43 2HA GLY 43 -14.768 -2.869 0.189 345 2HA GLY 43 1HA GLY 43 -14.137 -3.986 -1.024 346 H TRP 44 H TRP 44 -12.350 -2.504 1.706 347 HA TRP 44 HA TRP 44 -12.476 -4.885 3.342 348 1HB TRP 44 2HB TRP 44 -11.020 -5.814 1.601 349 2HB TRP 44 1HB TRP 44 -9.937 -4.429 1.753 350 HD1 TRP 44 HD1 TRP 44 -8.906 -4.065 4.328 351 HE1 TRP 44 HE1 TRP 44 -8.047 -5.868 5.956 352 HE3 TRP 44 HE3 TRP 44 -11.154 -8.191 2.338 353 HZ2 TRP 44 HZ2 TRP 44 -8.285 -8.697 6.361 354 HZ3 TRP 44 HZ3 TRP 44 -10.826 -10.424 3.362 355 HH2 TRP 44 HH2 TRP 44 -9.395 -10.680 5.370 356 H VAL 45 H VAL 45 -10.564 -2.086 2.391 357 HA VAL 45 HA VAL 45 -9.531 -1.652 5.084 358 HB VAL 45 HB VAL 45 -9.320 -0.369 2.403 359 1HG1 VAL 45 3HG1 VAL 45 -9.898 1.512 3.894 360 2HG1 VAL 45 2HG1 VAL 45 -8.548 1.073 4.943 361 3HG1 VAL 45 1HG1 VAL 45 -8.244 1.617 3.294 362 1HG2 VAL 45 1HG2 VAL 45 -7.344 -1.106 4.578 363 2HG2 VAL 45 3HG2 VAL 45 -7.689 -2.042 3.121 364 3HG2 VAL 45 2HG2 VAL 45 -6.909 -0.464 2.993 365 H GLU 46 H GLU 46 -9.928 0.597 6.093 366 HA GLU 46 HA GLU 46 -12.804 1.343 5.744 367 1HB GLU 46 2HB GLU 46 -12.261 0.150 7.906 368 2HB GLU 46 1HB GLU 46 -11.209 1.505 8.316 369 1HG GLU 46 2HG GLU 46 -13.819 2.433 7.432 370 2HG GLU 46 1HG GLU 46 -13.961 1.334 8.805 371 H TYR 47 H TYR 47 -12.890 3.298 4.810 372 HA TYR 47 HA TYR 47 -10.672 5.213 5.171 373 1HB TYR 47 2HB TYR 47 -13.185 5.419 3.480 374 2HB TYR 47 1HB TYR 47 -11.754 6.444 3.354 375 HD1 TYR 47 HD2 TYR 47 -9.510 4.606 3.562 376 HD2 TYR 47 HD1 TYR 47 -13.281 4.076 1.565 377 HE1 TYR 47 HE2 TYR 47 -8.464 2.959 2.022 378 HE2 TYR 47 HE1 TYR 47 -12.231 2.436 0.028 379 HH TYR 47 HH TYR 47 -10.051 1.844 -0.805 380 HA PRO 48 HA PRO 48 -10.970 7.628 4.433 381 1HB PRO 48 2HB PRO 48 -9.843 9.588 5.997 382 2HB PRO 48 1HB PRO 48 -11.333 9.799 5.056 383 1HG PRO 48 2HG PRO 48 -11.009 9.382 8.000 384 2HG PRO 48 1HG PRO 48 -12.268 10.266 7.122 385 1HD PRO 48 2HD PRO 48 -12.574 7.698 8.195 386 2HD PRO 48 1HD PRO 48 -13.598 8.398 6.921 387 H LEU 49 H LEU 49 -8.914 6.954 4.068 388 HA LEU 49 HA LEU 49 -7.431 5.770 6.372 389 1HB LEU 49 2HB LEU 49 -7.845 4.023 4.876 390 2HB LEU 49 1HB LEU 49 -7.711 5.071 3.467 391 HG LEU 49 HG LEU 49 -5.217 5.282 4.051 392 1HD1 LEU 49 3HD1 LEU 49 -5.704 4.272 6.403 393 2HD1 LEU 49 2HD1 LEU 49 -5.710 2.720 5.569 394 3HD1 LEU 49 1HD1 LEU 49 -4.262 3.722 5.550 395 1HD2 LEU 49 1HD2 LEU 49 -6.717 3.182 2.758 396 2HD2 LEU 49 3HD2 LEU 49 -5.165 3.890 2.296 397 3HD2 LEU 49 2HD2 LEU 49 -5.220 2.543 3.437 398 H VAL 50 H VAL 50 -5.036 5.979 6.254 399 HA VAL 50 HA VAL 50 -4.176 8.413 4.743 400 HB VAL 50 HB VAL 50 -4.095 7.831 7.629 401 1HG1 VAL 50 3HG1 VAL 50 -1.562 8.461 6.146 402 2HG1 VAL 50 2HG1 VAL 50 -1.841 9.214 7.716 403 3HG1 VAL 50 1HG1 VAL 50 -1.800 7.456 7.576 404 1HG2 VAL 50 1HG2 VAL 50 -5.057 9.829 6.261 405 2HG2 VAL 50 3HG2 VAL 50 -4.238 10.165 7.787 406 3HG2 VAL 50 2HG2 VAL 50 -3.393 10.415 6.259 407 H LEU 51 H LEU 51 -3.064 7.335 3.091 408 HA LEU 51 HA LEU 51 -1.300 5.071 3.730 409 1HB LEU 51 2HB LEU 51 -2.586 5.250 1.565 410 2HB LEU 51 1HB LEU 51 -1.531 6.600 1.129 411 HG LEU 51 HG LEU 51 0.418 4.962 1.609 412 1HD1 LEU 51 1HD1 LEU 51 -1.969 3.173 1.596 413 2HD1 LEU 51 3HD1 LEU 51 -0.437 2.582 0.939 414 3HD1 LEU 51 2HD1 LEU 51 -0.528 3.111 2.625 415 1HD2 LEU 51 3HD2 LEU 51 -1.461 4.701 -0.730 416 2HD2 LEU 51 2HD2 LEU 51 0.011 5.674 -0.625 417 3HD2 LEU 51 1HD2 LEU 51 0.117 3.915 -0.677 418 H GLU 52 H GLU 52 -0.106 6.682 5.287 419 HA GLU 52 HA GLU 52 1.603 8.696 4.145 420 1HB GLU 52 2HB GLU 52 1.188 8.752 6.517 421 2HB GLU 52 1HB GLU 52 1.764 7.095 6.714 422 1HG GLU 52 2HG GLU 52 3.998 7.697 6.454 423 2HG GLU 52 1HG GLU 52 3.606 9.146 5.528 424 H TRP 53 H TRP 53 2.520 7.558 2.254 425 HA TRP 53 HA TRP 53 4.151 5.189 2.721 426 1HB TRP 53 2HB TRP 53 2.937 5.963 0.512 427 2HB TRP 53 1HB TRP 53 4.440 6.854 0.246 428 HD1 TRP 53 HD1 TRP 53 6.713 5.137 0.922 429 HE1 TRP 53 HE1 TRP 53 7.119 2.776 -0.026 430 HE3 TRP 53 HE3 TRP 53 1.979 3.968 -0.575 431 HZ2 TRP 53 HZ2 TRP 53 5.626 0.675 -1.252 432 HZ3 TRP 53 HZ3 TRP 53 1.495 1.787 -1.632 433 HH2 TRP 53 HH2 TRP 53 3.315 0.130 -1.972 434 H ARG 54 H ARG 54 6.257 5.227 3.385 435 HA ARG 54 HA ARG 54 7.660 7.859 3.408 436 1HB ARG 54 2HB ARG 54 8.420 5.329 4.894 437 2HB ARG 54 1HB ARG 54 9.045 6.956 5.168 438 1HG ARG 54 2HG ARG 54 6.675 7.664 5.716 439 2HG ARG 54 1HG ARG 54 6.235 5.956 5.684 440 1HD ARG 54 2HD ARG 54 6.717 6.573 7.981 441 2HD ARG 54 1HD ARG 54 8.016 5.529 7.401 442 HE ARG 54 HE ARG 54 8.496 8.420 7.111 443 1HH1 ARG 54 2HH1 ARG 54 10.024 5.596 7.738 444 2HH1 ARG 54 1HH1 ARG 54 10.893 6.124 9.140 445 1HH2 ARG 54 1HH2 ARG 54 9.125 9.091 9.445 446 2HH2 ARG 54 2HH2 ARG 54 10.385 8.103 10.106 447 H GLN 55 H GLN 55 9.886 7.943 2.680 448 HA GLN 55 HA GLN 55 11.541 7.481 1.077 449 1HB GLN 55 2HB GLN 55 10.962 4.846 2.392 450 2HB GLN 55 1HB GLN 55 12.042 4.886 0.997 451 1HG GLN 55 2HG GLN 55 12.356 6.508 3.541 452 2HG GLN 55 1HG GLN 55 13.341 5.125 3.063 453 1HE2 GLN 55 2HE2 GLN 55 14.269 8.771 1.643 454 2HE2 GLN 55 1HE2 GLN 55 13.113 8.529 2.862 455 H PHE 56 H PHE 56 9.972 4.392 0.528 456 HA PHE 56 HA PHE 56 8.551 3.668 -1.210 457 1HB PHE 56 2HB PHE 56 7.548 5.975 -1.246 458 2HB PHE 56 1HB PHE 56 8.803 6.447 -2.393 459 HD1 PHE 56 HD1 PHE 56 5.832 4.329 -1.886 460 HD2 PHE 56 HD2 PHE 56 8.837 5.616 -4.665 461 HE1 PHE 56 HE1 PHE 56 4.533 3.343 -3.744 462 HE2 PHE 56 HE2 PHE 56 7.536 4.636 -6.526 463 HZ PHE 56 HZ PHE 56 5.381 3.498 -6.066 464 H GLU 57 H GLU 57 10.608 6.079 -2.856 465 HA GLU 57 HA GLU 57 11.304 4.685 -5.101 466 1HB GLU 57 2HB GLU 57 12.220 6.971 -3.968 467 2HB GLU 57 1HB GLU 57 13.637 5.939 -3.775 468 1HG GLU 57 2HG GLU 57 14.018 6.779 -5.906 469 2HG GLU 57 1HG GLU 57 13.122 5.310 -6.295 470 H GLN 58 H GLN 58 13.341 4.504 -2.149 471 HA GLN 58 HA GLN 58 15.047 2.465 -3.035 472 1HB GLN 58 2HB GLN 58 15.060 1.850 -0.466 473 2HB GLN 58 1HB GLN 58 15.731 3.382 -1.021 474 1HG GLN 58 2HG GLN 58 14.181 4.556 0.115 475 2HG GLN 58 1HG GLN 58 12.868 3.601 -0.575 476 1HE2 GLN 58 2HE2 GLN 58 14.161 2.814 3.185 477 2HE2 GLN 58 1HE2 GLN 58 14.837 4.067 2.260 478 H SER 59 H SER 59 12.198 1.902 -0.914 479 HA SER 59 HA SER 59 12.272 -0.924 -1.143 480 1HB SER 59 2HB SER 59 9.588 0.283 -0.893 481 2HB SER 59 1HB SER 59 10.406 -0.879 0.154 482 HG SER 59 HG SER 59 10.283 1.852 0.293 483 H LYS 60 H LYS 60 11.423 1.393 -3.483 484 HA LYS 60 HA LYS 60 9.527 -0.305 -4.939 485 1HB LYS 60 2HB LYS 60 9.517 2.246 -4.878 486 2HB LYS 60 1HB LYS 60 10.907 2.171 -5.966 487 1HG LYS 60 2HG LYS 60 9.072 0.395 -7.090 488 2HG LYS 60 1HG LYS 60 8.081 1.751 -6.553 489 1HD LYS 60 2HD LYS 60 9.082 3.238 -7.998 490 2HD LYS 60 1HD LYS 60 10.634 2.400 -7.951 491 1HE LYS 60 2HE LYS 60 9.673 0.569 -9.317 492 2HE LYS 60 1HE LYS 60 8.144 1.441 -9.393 493 1HZ LYS 60 1HZ LYS 60 10.440 3.011 -10.145 494 2HZ LYS 60 3HZ LYS 60 10.151 1.692 -11.169 495 3HZ LYS 60 2HZ LYS 60 8.934 2.849 -10.915 496 H GLN 61 H GLN 61 12.980 0.309 -4.992 497 HA GLN 61 HA GLN 61 13.369 -0.718 -7.687 498 1HB GLN 61 2HB GLN 61 14.905 0.913 -6.518 499 2HB GLN 61 1HB GLN 61 15.448 -0.434 -5.518 500 1HG GLN 61 2HG GLN 61 16.903 -0.005 -7.532 501 2HG GLN 61 1HG GLN 61 16.243 -1.639 -7.459 502 1HE2 GLN 61 2HE2 GLN 61 14.256 -1.258 -10.371 503 2HE2 GLN 61 1HE2 GLN 61 14.626 -2.243 -9.038 504 H LEU 62 H LEU 62 14.576 -1.927 -4.626 505 HA LEU 62 HA LEU 62 15.448 -4.418 -5.286 506 1HB LEU 62 2HB LEU 62 14.013 -5.033 -2.984 507 2HB LEU 62 1HB LEU 62 15.669 -4.427 -3.044 508 HG LEU 62 HG LEU 62 14.864 -2.126 -2.892 509 1HD1 LEU 62 1HD1 LEU 62 12.353 -3.421 -3.587 510 2HD1 LEU 62 3HD1 LEU 62 12.173 -2.376 -2.189 511 3HD1 LEU 62 2HD1 LEU 62 12.790 -1.715 -3.704 512 1HD2 LEU 62 3HD2 LEU 62 13.581 -3.944 -0.835 513 2HD2 LEU 62 2HD2 LEU 62 15.230 -3.319 -0.782 514 3HD2 LEU 62 1HD2 LEU 62 13.861 -2.216 -0.628 515 H THR 63 H THR 63 12.128 -3.425 -5.373 516 HA THR 63 HA THR 63 11.286 -6.225 -5.926 517 HB THR 63 HB THR 63 10.058 -4.802 -4.205 518 HG1 THR 63 HG1 THR 63 7.955 -5.286 -5.477 519 1HG2 THR 63 2HG2 THR 63 10.005 -3.008 -6.426 520 2HG2 THR 63 1HG2 THR 63 8.344 -3.456 -6.035 521 3HG2 THR 63 3HG2 THR 63 9.381 -2.749 -4.797 522 H GLU 64 H GLU 64 8.890 -4.889 -7.375 523 HA GLU 64 HA GLU 64 10.116 -3.752 -9.771 524 1HB GLU 64 2HB GLU 64 8.971 -5.675 -11.153 525 2HB GLU 64 1HB GLU 64 10.576 -5.937 -10.470 526 1HG GLU 64 2HG GLU 64 9.830 -7.526 -9.040 527 2HG GLU 64 1HG GLU 64 8.411 -6.575 -8.596 528 H ASN 65 H ASN 65 8.564 -2.101 -9.038 529 HA ASN 65 HA ASN 65 6.542 -0.974 -9.521 530 1HB ASN 65 2HB ASN 65 6.530 -3.031 -11.359 531 2HB ASN 65 1HB ASN 65 5.046 -3.322 -10.453 532 1HD2 ASN 65 2HD2 ASN 65 3.838 -0.968 -12.927 533 2HD2 ASN 65 1HD2 ASN 65 4.107 -2.628 -12.698 534 H GLY 66 H GLY 66 7.089 -3.442 -7.411 535 1HA GLY 66 2HA GLY 66 4.546 -4.161 -6.404 536 2HA GLY 66 1HA GLY 66 6.020 -4.097 -5.432 537 H ALA 67 H ALA 67 6.650 -1.426 -5.435 538 HA ALA 67 HA ALA 67 4.663 -0.362 -3.605 539 1HB ALA 67 2HB ALA 67 7.379 0.133 -4.187 540 2HB ALA 67 1HB ALA 67 6.528 1.636 -4.547 541 3HB ALA 67 3HB ALA 67 6.398 0.910 -2.944 542 H GLU 68 H GLU 68 5.838 0.704 -6.814 543 HA GLU 68 HA GLU 68 4.053 2.848 -7.159 544 1HB GLU 68 2HB GLU 68 5.975 1.529 -8.722 545 2HB GLU 68 1HB GLU 68 4.479 1.436 -9.650 546 1HG GLU 68 2HG GLU 68 5.775 3.939 -8.537 547 2HG GLU 68 1HG GLU 68 5.599 3.503 -10.238 548 H SER 69 H SER 69 3.410 -0.532 -7.130 549 HA SER 69 HA SER 69 0.916 -0.236 -8.675 550 1HB SER 69 2HB SER 69 2.488 -2.506 -7.562 551 2HB SER 69 1HB SER 69 0.748 -2.741 -7.685 552 HG SER 69 HG SER 69 2.118 -3.274 -9.588 553 H VAL 70 H VAL 70 1.739 -1.285 -5.324 554 HA VAL 70 HA VAL 70 -0.899 -1.319 -4.366 555 HB VAL 70 HB VAL 70 1.622 -0.422 -2.926 556 1HG1 VAL 70 2HG1 VAL 70 -1.099 -0.148 -2.157 557 2HG1 VAL 70 1HG1 VAL 70 -0.440 -1.484 -1.213 558 3HG1 VAL 70 3HG1 VAL 70 0.330 0.102 -1.153 559 1HG2 VAL 70 3HG2 VAL 70 0.684 -2.981 -3.788 560 2HG2 VAL 70 2HG2 VAL 70 2.099 -2.625 -2.797 561 3HG2 VAL 70 1HG2 VAL 70 0.538 -2.924 -2.031 562 H LEU 71 H LEU 71 1.226 1.244 -5.283 563 HA LEU 71 HA LEU 71 -0.377 3.272 -3.993 564 1HB LEU 71 2HB LEU 71 2.208 3.191 -5.073 565 2HB LEU 71 1HB LEU 71 1.312 4.277 -6.125 566 HG LEU 71 HG LEU 71 1.672 5.893 -4.604 567 1HD1 LEU 71 1HD1 LEU 71 -0.642 5.139 -3.842 568 2HD1 LEU 71 3HD1 LEU 71 0.186 4.293 -2.529 569 3HD1 LEU 71 2HD1 LEU 71 0.307 6.049 -2.660 570 1HD2 LEU 71 2HD2 LEU 71 2.810 3.578 -3.155 571 2HD2 LEU 71 1HD2 LEU 71 3.568 5.103 -3.617 572 3HD2 LEU 71 3HD2 LEU 71 2.506 5.039 -2.211 573 H GLN 72 H GLN 72 0.166 2.177 -7.346 574 HA GLN 72 HA GLN 72 -1.546 4.000 -8.624 575 1HB GLN 72 2HB GLN 72 -0.736 1.184 -9.151 576 2HB GLN 72 1HB GLN 72 -2.159 1.770 -10.013 577 1HG GLN 72 2HG GLN 72 -0.768 3.801 -10.675 578 2HG GLN 72 1HG GLN 72 0.636 2.926 -10.061 579 1HE2 GLN 72 2HE2 GLN 72 -1.292 1.048 -13.172 580 2HE2 GLN 72 1HE2 GLN 72 -2.206 1.673 -11.885 581 H VAL 73 H VAL 73 -2.270 1.302 -6.587 582 HA VAL 73 HA VAL 73 -5.154 1.402 -7.128 583 HB VAL 73 HB VAL 73 -3.548 -0.183 -5.114 584 1HG1 VAL 73 2HG1 VAL 73 -6.001 0.260 -4.588 585 2HG1 VAL 73 1HG1 VAL 73 -6.371 -0.641 -6.057 586 3HG1 VAL 73 3HG1 VAL 73 -5.536 -1.437 -4.727 587 1HG2 VAL 73 3HG2 VAL 73 -3.978 -0.396 -7.949 588 2HG2 VAL 73 2HG2 VAL 73 -3.042 -1.463 -6.898 589 3HG2 VAL 73 1HG2 VAL 73 -4.771 -1.757 -7.148 590 H PHE 74 H PHE 74 -3.069 2.093 -4.284 591 HA PHE 74 HA PHE 74 -5.028 2.902 -2.497 592 1HB PHE 74 2HB PHE 74 -2.158 3.492 -2.944 593 2HB PHE 74 1HB PHE 74 -3.032 4.688 -2.007 594 HD1 PHE 74 HD2 PHE 74 -4.730 3.594 -0.191 595 HD2 PHE 74 HD1 PHE 74 -1.186 1.742 -1.764 596 HE1 PHE 74 HE2 PHE 74 -4.653 2.051 1.736 597 HE2 PHE 74 HE1 PHE 74 -1.129 0.210 0.186 598 HZ PHE 74 HZ PHE 74 -2.876 0.378 1.926 599 H ARG 75 H ARG 75 -3.234 4.815 -4.853 600 HA ARG 75 HA ARG 75 -4.719 7.231 -4.592 601 1HB ARG 75 2HB ARG 75 -3.254 6.155 -7.022 602 2HB ARG 75 1HB ARG 75 -3.736 7.829 -6.761 603 1HG ARG 75 2HG ARG 75 -2.147 8.171 -5.089 604 2HG ARG 75 1HG ARG 75 -2.050 6.455 -4.697 605 1HD ARG 75 2HD ARG 75 -0.102 6.597 -5.893 606 2HD ARG 75 1HD ARG 75 -1.197 6.365 -7.255 607 HE ARG 75 HE ARG 75 -0.821 9.170 -6.502 608 1HH1 ARG 75 2HH1 ARG 75 -1.444 8.356 -9.277 609 2HH1 ARG 75 1HH1 ARG 75 0.089 8.494 -10.071 610 1HH2 ARG 75 1HH2 ARG 75 1.913 8.543 -7.123 611 2HH2 ARG 75 2HH2 ARG 75 1.989 8.600 -8.852 612 H GLU 76 H GLU 76 -5.061 4.441 -6.861 613 HA GLU 76 HA GLU 76 -7.203 5.500 -8.386 614 1HB GLU 76 2HB GLU 76 -6.214 2.799 -7.699 615 2HB GLU 76 1HB GLU 76 -7.903 2.879 -8.197 616 1HG GLU 76 2HG GLU 76 -7.387 3.676 -10.309 617 2HG GLU 76 1HG GLU 76 -5.846 4.357 -9.787 618 H ALA 77 H ALA 77 -7.098 4.407 -5.114 619 HA ALA 77 HA ALA 77 -9.999 4.070 -4.852 620 1HB ALA 77 2HB ALA 77 -7.956 3.018 -3.466 621 2HB ALA 77 1HB ALA 77 -8.238 4.447 -2.475 622 3HB ALA 77 3HB ALA 77 -9.536 3.281 -2.729 623 H LYS 78 H LYS 78 -7.614 6.371 -3.432 624 HA LYS 78 HA LYS 78 -9.614 8.154 -2.451 625 1HB LYS 78 2HB LYS 78 -7.679 9.797 -2.470 626 2HB LYS 78 1HB LYS 78 -7.399 8.318 -1.560 627 1HG LYS 78 2HG LYS 78 -5.558 8.001 -2.815 628 2HG LYS 78 1HG LYS 78 -6.622 7.735 -4.193 629 1HD LYS 78 2HD LYS 78 -5.696 9.568 -5.125 630 2HD LYS 78 1HD LYS 78 -6.563 10.510 -3.911 631 1HE LYS 78 2HE LYS 78 -4.566 9.979 -2.355 632 2HE LYS 78 1HE LYS 78 -3.714 9.522 -3.831 633 1HZ LYS 78 1HZ LYS 78 -5.135 12.071 -3.836 634 2HZ LYS 78 3HZ LYS 78 -3.713 11.984 -2.917 635 3HZ LYS 78 2HZ LYS 78 -3.669 11.642 -4.580 636 H ALA 79 H ALA 79 -8.666 7.423 -5.607 637 HA ALA 79 HA ALA 79 -9.297 10.080 -6.737 638 1HB ALA 79 3HB ALA 79 -7.553 8.180 -7.550 639 2HB ALA 79 2HB ALA 79 -8.977 7.671 -8.463 640 3HB ALA 79 1HB ALA 79 -8.322 9.300 -8.675 641 H GLU 80 H GLU 80 -10.298 6.779 -7.519 642 HA GLU 80 HA GLU 80 -12.668 7.401 -8.861 643 1HB GLU 80 2HB GLU 80 -12.221 4.962 -7.123 644 2HB GLU 80 1HB GLU 80 -13.276 5.099 -8.526 645 1HG GLU 80 2HG GLU 80 -10.535 5.891 -9.133 646 2HG GLU 80 1HG GLU 80 -10.648 4.221 -8.577 647 H GLY 81 H GLY 81 -12.513 6.249 -5.443 648 1HA GLY 81 2HA GLY 81 -14.562 8.229 -4.716 649 2HA GLY 81 1HA GLY 81 -15.129 6.557 -4.689 650 H ALA 82 H ALA 82 -12.604 5.430 -3.779 651 HA ALA 82 HA ALA 82 -12.903 5.251 -1.068 652 1HB ALA 82 1HB ALA 82 -10.928 4.507 -2.862 653 2HB ALA 82 3HB ALA 82 -10.067 5.558 -1.734 654 3HB ALA 82 2HB ALA 82 -10.934 4.140 -1.136 655 H ASP 83 H ASP 83 -11.997 6.326 0.779 656 HA ASP 83 HA ASP 83 -11.382 9.209 0.280 657 1HB ASP 83 2HB ASP 83 -13.081 7.827 2.206 658 2HB ASP 83 1HB ASP 83 -11.912 8.875 3.009 659 H ILE 84 H ILE 84 -9.234 7.768 -0.173 660 HA ILE 84 HA ILE 84 -7.746 7.419 2.374 661 HB ILE 84 HB ILE 84 -7.159 6.564 -0.473 662 1HG1 ILE 84 2HG1 ILE 84 -7.237 4.646 1.754 663 2HG1 ILE 84 1HG1 ILE 84 -8.774 5.443 1.425 664 1HG2 ILE 84 1HG2 ILE 84 -5.087 7.217 0.797 665 2HG2 ILE 84 3HG2 ILE 84 -5.539 6.043 2.036 666 3HG2 ILE 84 2HG2 ILE 84 -5.152 5.499 0.402 667 1HD1 ILE 84 1HD1 ILE 84 -7.224 4.429 -0.908 668 2HD1 ILE 84 3HD1 ILE 84 -8.023 3.238 0.117 669 3HD1 ILE 84 2HD1 ILE 84 -8.970 4.503 -0.664 670 H THR 85 H THR 85 -5.588 8.318 2.546 671 HA THR 85 HA THR 85 -5.208 10.797 0.920 672 HB THR 85 HB THR 85 -4.090 10.434 3.697 673 HG1 THR 85 HG1 THR 85 -6.713 10.990 2.911 674 1HG2 THR 85 2HG2 THR 85 -3.620 12.338 1.887 675 2HG2 THR 85 1HG2 THR 85 -5.109 12.999 2.564 676 3HG2 THR 85 3HG2 THR 85 -3.718 12.706 3.609 677 H ILE 86 H ILE 86 -3.781 9.907 -0.587 678 HA ILE 86 HA ILE 86 -1.622 8.159 0.263 679 HB ILE 86 HB ILE 86 -2.726 9.147 -2.279 680 1HG1 ILE 86 2HG1 ILE 86 -2.415 6.874 -2.924 681 2HG1 ILE 86 1HG1 ILE 86 -1.190 6.613 -1.687 682 1HG2 ILE 86 1HG2 ILE 86 -0.419 10.064 -2.446 683 2HG2 ILE 86 3HG2 ILE 86 0.226 8.458 -2.104 684 3HG2 ILE 86 2HG2 ILE 86 -0.687 8.746 -3.586 685 1HD1 ILE 86 1HD1 ILE 86 -3.546 7.494 -0.350 686 2HD1 ILE 86 3HD1 ILE 86 -4.031 6.247 -1.497 687 3HD1 ILE 86 2HD1 ILE 86 -2.800 5.895 -0.281 688 H ILE 87 H ILE 87 0.170 8.853 1.210 689 HA ILE 87 HA ILE 87 1.046 11.671 0.712 690 HB ILE 87 HB ILE 87 2.171 9.981 2.917 691 1HG1 ILE 87 2HG1 ILE 87 -0.309 9.675 2.985 692 2HG1 ILE 87 1HG1 ILE 87 0.303 10.571 4.377 693 1HG2 ILE 87 3HG2 ILE 87 2.300 12.686 2.075 694 2HG2 ILE 87 2HG2 ILE 87 1.405 12.668 3.594 695 3HG2 ILE 87 1HG2 ILE 87 3.023 11.973 3.517 696 1HD1 ILE 87 2HD1 ILE 87 -0.170 12.679 2.904 697 2HD1 ILE 87 1HD1 ILE 87 -1.224 11.594 1.997 698 3HD1 ILE 87 3HD1 ILE 87 -1.518 11.882 3.712 699 H LEU 88 H LEU 88 2.943 11.995 -0.364 700 HA LEU 88 HA LEU 88 5.009 9.885 -0.368 701 1HB LEU 88 2HB LEU 88 3.362 10.661 -2.743 702 2HB LEU 88 1HB LEU 88 5.074 10.319 -2.993 703 HG LEU 88 HG LEU 88 3.319 8.432 -1.427 704 1HD1 LEU 88 1HD1 LEU 88 3.596 8.760 -4.402 705 2HD1 LEU 88 3HD1 LEU 88 3.361 7.152 -3.718 706 3HD1 LEU 88 2HD1 LEU 88 2.152 8.408 -3.453 707 1HD2 LEU 88 2HD2 LEU 88 5.869 8.327 -1.402 708 2HD2 LEU 88 1HD2 LEU 88 5.055 6.848 -1.910 709 3HD2 LEU 88 3HD2 LEU 88 5.780 7.913 -3.114 710 H SER 89 HN SER 89 6.808 11.024 0.160 711 HA SER 89 HA SER 89 7.256 13.633 -1.224 712 1HB SER 89 2HB SER 89 7.679 14.757 0.732 713 2HB SER 89 1HB SER 89 6.579 13.543 1.390 714 HG SER 89 HG SER 89 8.264 12.433 2.185 No H/Q in entry = 714 Start of MODEL 17 1 1H LYS 1 1H LYS 1 -8.468 5.739 8.737 2 2H LYS 1 3H LYS 1 -8.689 4.460 7.645 3 3H LYS 1 2H LYS 1 -9.404 4.393 9.185 4 HA LYS 1 HA LYS 1 -7.395 4.026 10.264 5 1HB LYS 1 2HB LYS 1 -7.752 2.553 7.687 6 2HB LYS 1 1HB LYS 1 -6.258 2.291 8.587 7 1HG LYS 1 2HG LYS 1 -7.872 2.008 10.642 8 2HG LYS 1 1HG LYS 1 -9.086 1.688 9.402 9 1HD LYS 1 2HD LYS 1 -8.326 -0.431 9.320 10 2HD LYS 1 1HD LYS 1 -6.835 0.200 8.621 11 1HE LYS 1 2HE LYS 1 -5.761 -0.538 10.459 12 2HE LYS 1 1HE LYS 1 -6.613 0.708 11.372 13 1HZ LYS 1 1HZ LYS 1 -8.513 -1.040 11.352 14 2HZ LYS 1 3HZ LYS 1 -7.257 -2.143 11.068 15 3HZ LYS 1 2HZ LYS 1 -7.243 -1.183 12.471 16 H LYS 2 H LYS 2 -4.915 3.665 9.845 17 HA LYS 2 HA LYS 2 -3.907 5.739 7.953 18 1HB LYS 2 2HB LYS 2 -3.808 6.908 10.002 19 2HB LYS 2 1HB LYS 2 -3.344 5.465 10.903 20 1HG LYS 2 2HG LYS 2 -1.134 5.678 10.362 21 2HG LYS 2 1HG LYS 2 -1.486 6.265 8.737 22 1HD LYS 2 2HD LYS 2 -2.255 8.439 9.830 23 2HD LYS 2 1HD LYS 2 -1.529 7.834 11.321 24 1HE LYS 2 2HE LYS 2 0.340 7.464 9.178 25 2HE LYS 2 1HE LYS 2 -0.224 9.135 9.152 26 1HZ LYS 2 1HZ LYS 2 0.146 8.709 11.775 27 2HZ LYS 2 3HZ LYS 2 1.388 7.761 11.115 28 3HZ LYS 2 2HZ LYS 2 1.298 9.417 10.746 29 H ALA 3 H ALA 3 -2.838 4.431 6.520 30 HA ALA 3 HA ALA 3 -1.192 2.196 7.564 31 1HB ALA 3 1HB ALA 3 -2.440 2.878 4.957 32 2HB ALA 3 3HB ALA 3 -0.873 2.072 4.873 33 3HB ALA 3 2HB ALA 3 -2.216 1.304 5.719 34 H VAL 4 H VAL 4 1.055 2.199 7.360 35 HA VAL 4 HA VAL 4 2.265 4.666 6.188 36 HB VAL 4 HB VAL 4 3.072 3.251 8.749 37 1HG1 VAL 4 1HG1 VAL 4 4.545 4.939 6.918 38 2HG1 VAL 4 3HG1 VAL 4 4.362 5.748 8.475 39 3HG1 VAL 4 2HG1 VAL 4 5.107 4.151 8.393 40 1HG2 VAL 4 3HG2 VAL 4 1.134 5.245 8.248 41 2HG2 VAL 4 2HG2 VAL 4 1.770 4.751 9.817 42 3HG2 VAL 4 1HG2 VAL 4 2.520 6.085 8.942 43 H ILE 5 H ILE 5 3.744 4.192 4.663 44 HA ILE 5 HA ILE 5 4.711 1.402 4.432 45 HB ILE 5 HB ILE 5 5.203 3.661 2.478 46 1HG1 ILE 5 2HG1 ILE 5 2.695 3.168 3.230 47 2HG1 ILE 5 1HG1 ILE 5 3.084 3.415 1.543 48 1HG2 ILE 5 2HG2 ILE 5 5.631 0.761 2.577 49 2HG2 ILE 5 1HG2 ILE 5 4.806 1.290 1.112 50 3HG2 ILE 5 3HG2 ILE 5 6.372 1.977 1.537 51 1HD1 ILE 5 1HD1 ILE 5 3.300 0.926 1.290 52 2HD1 ILE 5 3HD1 ILE 5 2.716 0.765 2.947 53 3HD1 ILE 5 2HD1 ILE 5 1.675 1.466 1.706 54 H ASN 6 H ASN 6 6.613 0.970 5.383 55 HA ASN 6 HA ASN 6 8.611 3.176 5.580 56 1HB ASN 6 2HB ASN 6 8.864 0.711 7.250 57 2HB ASN 6 1HB ASN 6 9.281 2.378 7.645 58 1HD2 ASN 6 2HD2 ASN 6 6.363 2.573 9.575 59 2HD2 ASN 6 1HD2 ASN 6 8.043 2.787 9.474 60 H GLY 7 H GLY 7 9.800 2.831 3.702 61 1HA GLY 7 2HA GLY 7 10.405 0.225 2.662 62 2HA GLY 7 1HA GLY 7 11.212 1.726 2.189 63 H GLU 8 H GLU 8 11.559 1.872 5.366 64 HA GLU 8 HA GLU 8 14.303 1.020 5.312 65 1HB GLU 8 2HB GLU 8 13.450 2.851 6.784 66 2HB GLU 8 1HB GLU 8 12.581 1.639 7.726 67 1HG GLU 8 2HG GLU 8 14.505 0.783 8.663 68 2HG GLU 8 1HG GLU 8 15.493 1.183 7.257 69 H GLN 9 H GLN 9 11.357 -0.568 5.857 70 HA GLN 9 HA GLN 9 12.780 -2.919 7.025 71 1HB GLN 9 2HB GLN 9 10.956 -1.817 8.441 72 2HB GLN 9 1HB GLN 9 9.813 -2.368 7.217 73 1HG GLN 9 2HG GLN 9 9.725 -4.217 8.574 74 2HG GLN 9 1HG GLN 9 11.146 -4.677 7.636 75 1HE2 GLN 9 2HE2 GLN 9 12.184 -5.008 11.164 76 2HE2 GLN 9 1HE2 GLN 9 11.142 -5.809 10.090 77 H ILE 10 H ILE 10 10.879 -1.685 4.451 78 HA ILE 10 HA ILE 10 9.952 -4.238 3.445 79 HB ILE 10 HB ILE 10 10.360 -1.635 1.940 80 1HG1 ILE 10 2HG1 ILE 10 8.811 -1.135 3.665 81 2HG1 ILE 10 1HG1 ILE 10 7.795 -1.555 2.290 82 1HG2 ILE 10 3HG2 ILE 10 8.857 -4.197 1.358 83 2HG2 ILE 10 2HG2 ILE 10 8.531 -2.689 0.499 84 3HG2 ILE 10 1HG2 ILE 10 10.122 -3.443 0.388 85 1HD1 ILE 10 2HD1 ILE 10 8.071 -4.002 3.336 86 2HD1 ILE 10 1HD1 ILE 10 8.291 -3.066 4.812 87 3HD1 ILE 10 3HD1 ILE 10 6.806 -2.899 3.876 88 H ARG 11 H ARG 11 11.410 -5.741 2.880 89 HA ARG 11 HA ARG 11 14.104 -5.096 1.999 90 1HB ARG 11 2HB ARG 11 13.026 -7.790 1.371 91 2HB ARG 11 1HB ARG 11 14.520 -7.339 2.200 92 1HG ARG 11 2HG ARG 11 13.009 -6.614 4.154 93 2HG ARG 11 1HG ARG 11 11.733 -7.516 3.327 94 1HD ARG 11 2HD ARG 11 12.546 -9.286 4.521 95 2HD ARG 11 1HD ARG 11 13.773 -9.332 3.254 96 HE ARG 11 HE ARG 11 14.837 -7.555 5.061 97 1HH1 ARG 11 1HH1 ARG 11 14.086 -10.620 7.326 98 2HH1 ARG 11 2HH1 ARG 11 12.861 -9.696 6.523 99 1HH2 ARG 11 1HH2 ARG 11 16.702 -9.182 5.563 100 2HH2 ARG 11 2HH2 ARG 11 16.260 -10.329 6.783 101 H SER 12 H SER 12 11.168 -6.346 0.418 102 HA SER 12 HA SER 12 11.672 -4.935 -2.026 103 1HB SER 12 2HB SER 12 12.959 -7.584 -1.745 104 2HB SER 12 1HB SER 12 12.071 -7.332 -3.245 105 HG SER 12 HG SER 12 14.463 -6.462 -2.652 106 H ILE 13 H ILE 13 9.338 -4.953 -0.948 107 HA ILE 13 HA ILE 13 7.104 -5.294 -1.581 108 HB ILE 13 HB ILE 13 8.366 -6.211 -3.803 109 1HG1 ILE 13 2HG1 ILE 13 6.162 -6.356 -4.807 110 2HG1 ILE 13 1HG1 ILE 13 5.421 -6.639 -3.233 111 1HG2 ILE 13 1HG2 ILE 13 8.247 -8.566 -2.552 112 2HG2 ILE 13 3HG2 ILE 13 6.605 -8.551 -3.187 113 3HG2 ILE 13 2HG2 ILE 13 7.979 -8.442 -4.287 114 1HD1 ILE 13 2HD1 ILE 13 7.054 -4.155 -3.689 115 2HD1 ILE 13 1HD1 ILE 13 5.381 -4.224 -4.245 116 3HD1 ILE 13 3HD1 ILE 13 5.750 -4.432 -2.533 117 H SER 14 H SER 14 9.081 -8.146 -0.822 118 HA SER 14 HA SER 14 7.001 -9.830 0.098 119 1HB SER 14 2HB SER 14 9.851 -9.792 0.216 120 2HB SER 14 1HB SER 14 9.260 -10.071 1.852 121 HG SER 14 HG SER 14 8.055 -11.444 -0.266 122 H ASP 15 H ASP 15 8.901 -7.378 1.852 123 HA ASP 15 HA ASP 15 7.284 -7.666 4.266 124 1HB ASP 15 2HB ASP 15 9.751 -6.344 3.455 125 2HB ASP 15 1HB ASP 15 8.752 -5.314 4.479 126 H LEU 16 H LEU 16 7.239 -5.723 1.425 127 HA LEU 16 HA LEU 16 5.834 -3.429 2.384 128 1HB LEU 16 2HB LEU 16 6.933 -3.627 0.150 129 2HB LEU 16 1HB LEU 16 5.658 -4.732 -0.345 130 HG LEU 16 HG LEU 16 4.212 -3.035 -0.754 131 1HD1 LEU 16 2HD1 LEU 16 5.205 -1.782 1.822 132 2HD1 LEU 16 1HD1 LEU 16 4.018 -1.008 0.772 133 3HD1 LEU 16 3HD1 LEU 16 3.647 -2.555 1.532 134 1HD2 LEU 16 2HD2 LEU 16 6.468 -2.247 -1.634 135 2HD2 LEU 16 1HD2 LEU 16 5.246 -0.993 -1.411 136 3HD2 LEU 16 3HD2 LEU 16 6.535 -1.190 -0.223 137 H HIS 17 H HIS 17 4.589 -6.257 0.630 138 HA HIS 17 HA HIS 17 1.849 -5.689 0.971 139 1HB HIS 17 2HB HIS 17 3.351 -8.277 0.603 140 2HB HIS 17 1HB HIS 17 1.586 -8.222 0.684 141 HD1 HIS 17 HD1 HIS 17 0.391 -6.647 -1.142 142 HD2 HIS 17 HD2 HIS 17 4.415 -7.470 -1.856 143 HE1 HIS 17 HE1 HIS 17 0.841 -5.991 -3.545 144 H GLN 18 H GLN 18 4.141 -6.837 3.250 145 HA GLN 18 HA GLN 18 2.124 -7.907 5.092 146 1HB GLN 18 2HB GLN 18 4.818 -7.181 6.117 147 2HB GLN 18 1HB GLN 18 3.878 -8.649 6.379 148 1HG GLN 18 2HG GLN 18 4.349 -9.275 3.978 149 2HG GLN 18 1HG GLN 18 5.460 -7.907 3.912 150 1HE2 GLN 18 2HE2 GLN 18 7.476 -9.552 6.635 151 2HE2 GLN 18 1HE2 GLN 18 6.578 -8.113 6.549 152 H THR 19 H THR 19 3.937 -4.994 4.591 153 HA THR 19 HA THR 19 3.192 -3.693 7.046 154 HB THR 19 HB THR 19 4.299 -2.745 4.411 155 HG1 THR 19 HG1 THR 19 5.181 -2.957 7.080 156 1HG2 THR 19 1HG2 THR 19 2.945 -1.149 6.496 157 2HG2 THR 19 3HG2 THR 19 4.532 -0.551 6.008 158 3HG2 THR 19 2HG2 THR 19 3.261 -0.761 4.803 159 H LEU 20 H LEU 20 1.799 -3.852 3.853 160 HA LEU 20 HA LEU 20 -0.330 -1.942 4.505 161 1HB LEU 20 2HB LEU 20 -0.583 -3.890 2.246 162 2HB LEU 20 1HB LEU 20 -1.060 -2.191 2.313 163 HG LEU 20 HG LEU 20 1.767 -3.236 2.195 164 1HD1 LEU 20 3HD1 LEU 20 -0.140 -2.732 0.167 165 2HD1 LEU 20 2HD1 LEU 20 1.045 -1.426 0.100 166 3HD1 LEU 20 1HD1 LEU 20 1.572 -3.102 -0.034 167 1HD2 LEU 20 2HD2 LEU 20 1.093 -1.020 3.500 168 2HD2 LEU 20 1HD2 LEU 20 2.526 -1.062 2.473 169 3HD2 LEU 20 3HD2 LEU 20 1.027 -0.359 1.866 170 H LYS 21 H LYS 21 0.144 -5.408 4.258 171 HA LYS 21 HA LYS 21 -2.567 -6.173 4.846 172 1HB LYS 21 2HB LYS 21 -1.040 -7.816 3.928 173 2HB LYS 21 1HB LYS 21 0.081 -7.591 5.273 174 1HG LYS 21 2HG LYS 21 -1.105 -8.963 6.632 175 2HG LYS 21 1HG LYS 21 -2.644 -8.258 6.134 176 1HD LYS 21 2HD LYS 21 -2.960 -9.784 4.452 177 2HD LYS 21 1HD LYS 21 -1.234 -9.919 4.111 178 1HE LYS 21 2HE LYS 21 -2.440 -11.945 5.228 179 2HE LYS 21 1HE LYS 21 -0.877 -11.440 5.866 180 1HZ LYS 21 1HZ LYS 21 -3.298 -10.209 6.966 181 2HZ LYS 21 3HZ LYS 21 -2.921 -11.794 7.436 182 3HZ LYS 21 2HZ LYS 21 -1.812 -10.540 7.721 183 H LYS 22 H LYS 22 0.063 -4.940 6.722 184 HA LYS 22 HA LYS 22 -1.043 -5.852 9.290 185 1HB LYS 22 2HB LYS 22 1.286 -5.732 9.393 186 2HB LYS 22 1HB LYS 22 1.356 -4.271 8.410 187 1HG LYS 22 2HG LYS 22 0.542 -2.918 10.233 188 2HG LYS 22 1HG LYS 22 0.201 -4.347 11.210 189 1HD LYS 22 2HD LYS 22 2.987 -4.066 10.212 190 2HD LYS 22 1HD LYS 22 2.483 -2.928 11.461 191 1HE LYS 22 2HE LYS 22 2.757 -4.533 13.010 192 2HE LYS 22 1HE LYS 22 1.506 -5.491 12.217 193 1HZ LYS 22 1HZ LYS 22 4.374 -5.464 11.447 194 2HZ LYS 22 3HZ LYS 22 3.629 -6.671 12.377 195 3HZ LYS 22 2HZ LYS 22 3.157 -6.432 10.763 196 H GLU 23 H GLU 23 -0.760 -2.774 7.483 197 HA GLU 23 HA GLU 23 -2.134 -1.268 9.558 198 1HB GLU 23 2HB GLU 23 -1.911 -0.419 6.679 199 2HB GLU 23 1HB GLU 23 -1.970 0.598 8.117 200 1HG GLU 23 2HG GLU 23 0.261 0.378 8.519 201 2HG GLU 23 1HG GLU 23 0.283 -1.319 8.040 202 H LEU 24 H LEU 24 -3.030 -2.095 6.263 203 HA LEU 24 HA LEU 24 -5.790 -1.434 6.531 204 1HB LEU 24 2HB LEU 24 -4.613 -3.475 4.627 205 2HB LEU 24 1HB LEU 24 -6.056 -2.489 4.392 206 HG LEU 24 HG LEU 24 -3.396 -1.163 4.854 207 1HD1 LEU 24 1HD1 LEU 24 -3.419 -2.939 2.924 208 2HD1 LEU 24 3HD1 LEU 24 -4.368 -1.717 2.076 209 3HD1 LEU 24 2HD1 LEU 24 -2.739 -1.338 2.638 210 1HD2 LEU 24 2HD2 LEU 24 -6.095 -0.379 4.238 211 2HD2 LEU 24 1HD2 LEU 24 -4.703 0.634 4.610 212 3HD2 LEU 24 3HD2 LEU 24 -5.016 0.145 2.946 213 H ALA 25 H ALA 25 -3.927 -4.219 7.443 214 HA ALA 25 HA ALA 25 -4.572 -6.105 8.689 215 1HB ALA 25 1HB ALA 25 -6.411 -4.117 9.356 216 2HB ALA 25 3HB ALA 25 -7.415 -5.494 8.902 217 3HB ALA 25 2HB ALA 25 -6.210 -5.663 10.180 218 H LEU 26 H LEU 26 -4.420 -6.467 6.017 219 HA LEU 26 HA LEU 26 -6.870 -7.430 4.814 220 1HB LEU 26 2HB LEU 26 -4.024 -8.148 4.038 221 2HB LEU 26 1HB LEU 26 -5.453 -8.155 3.003 222 HG LEU 26 HG LEU 26 -4.360 -5.677 4.353 223 1HD1 LEU 26 1HD1 LEU 26 -3.048 -6.877 2.388 224 2HD1 LEU 26 3HD1 LEU 26 -4.297 -6.125 1.396 225 3HD1 LEU 26 2HD1 LEU 26 -3.248 -5.125 2.403 226 1HD2 LEU 26 1HD2 LEU 26 -6.889 -6.285 3.240 227 2HD2 LEU 26 3HD2 LEU 26 -6.277 -4.692 3.690 228 3HD2 LEU 26 2HD2 LEU 26 -6.060 -5.287 2.045 229 HA PRO 27 HA PRO 27 -7.019 -11.516 6.363 230 1HB PRO 27 2HB PRO 27 -7.736 -12.973 4.146 231 2HB PRO 27 1HB PRO 27 -8.842 -11.885 5.008 232 1HG PRO 27 2HG PRO 27 -7.474 -11.484 2.391 233 2HG PRO 27 1HG PRO 27 -8.996 -10.792 2.976 234 1HD PRO 27 2HD PRO 27 -6.494 -9.490 2.869 235 2HD PRO 27 1HD PRO 27 -7.930 -8.911 3.738 236 H GLU 28 H GLU 28 -6.407 -13.964 5.471 237 HA GLU 28 HA GLU 28 -3.489 -13.930 5.335 238 1HB GLU 28 2HB GLU 28 -4.650 -15.600 6.709 239 2HB GLU 28 1HB GLU 28 -5.470 -16.227 5.276 240 1HG GLU 28 2HG GLU 28 -3.696 -17.694 5.331 241 2HG GLU 28 1HG GLU 28 -2.951 -16.402 4.390 242 H TYR 29 H TYR 29 -6.143 -14.947 3.177 243 HA TYR 29 HA TYR 29 -4.355 -15.886 1.108 244 1HB TYR 29 2HB TYR 29 -6.436 -15.800 -0.324 245 2HB TYR 29 1HB TYR 29 -6.581 -16.772 1.144 246 HD1 TYR 29 HD1 TYR 29 -7.016 -13.183 0.073 247 HD2 TYR 29 HD2 TYR 29 -8.476 -16.468 2.435 248 HE1 TYR 29 HE1 TYR 29 -8.960 -11.816 0.787 249 HE2 TYR 29 HE2 TYR 29 -10.411 -15.093 3.154 250 HH TYR 29 HH TYR 29 -11.414 -13.126 3.023 251 H TYR 30 H TYR 30 -4.853 -12.803 2.184 252 HA TYR 30 HA TYR 30 -5.334 -11.034 0.181 253 1HB TYR 30 2HB TYR 30 -4.466 -10.281 2.313 254 2HB TYR 30 1HB TYR 30 -2.911 -11.048 2.000 255 HD1 TYR 30 HD2 TYR 30 -4.942 -9.202 -0.512 256 HD2 TYR 30 HD1 TYR 30 -1.508 -9.124 2.071 257 HE1 TYR 30 HE2 TYR 30 -4.151 -7.119 -1.617 258 HE2 TYR 30 HE1 TYR 30 -0.718 -7.058 0.964 259 HH TYR 30 HH TYR 30 -1.466 -5.280 -0.362 260 H GLY 31 H GLY 31 -4.872 -11.210 -1.939 261 1HA GLY 31 2HA GLY 31 -2.954 -12.805 -3.176 262 2HA GLY 31 1HA GLY 31 -3.586 -11.328 -3.907 263 H GLU 32 H GLU 32 -2.428 -9.826 -1.477 264 HA GLU 32 HA GLU 32 -0.451 -8.644 -1.038 265 1HB GLU 32 2HB GLU 32 0.936 -11.100 -2.155 266 2HB GLU 32 1HB GLU 32 1.616 -9.900 -1.052 267 1HG GLU 32 2HG GLU 32 -0.786 -10.827 0.137 268 2HG GLU 32 1HG GLU 32 0.089 -12.256 -0.416 269 H ASN 33 H ASN 33 -1.736 -8.041 -3.405 270 HA ASN 33 HA ASN 33 0.513 -7.070 -5.027 271 1HB ASN 33 2HB ASN 33 -0.862 -7.945 -7.118 272 2HB ASN 33 1HB ASN 33 0.306 -8.995 -6.316 273 1HD2 ASN 33 2HD2 ASN 33 -2.484 -11.253 -6.298 274 2HD2 ASN 33 1HD2 ASN 33 -1.092 -10.821 -7.168 275 H LEU 34 H LEU 34 -0.883 -6.067 -7.175 276 HA LEU 34 HA LEU 34 -2.432 -3.949 -5.892 277 1HB LEU 34 2HB LEU 34 -2.794 -3.291 -8.398 278 2HB LEU 34 1HB LEU 34 -1.185 -3.128 -7.696 279 HG LEU 34 HG LEU 34 -1.774 -5.787 -8.840 280 1HD1 LEU 34 1HD1 LEU 34 -2.498 -3.492 -10.335 281 2HD1 LEU 34 3HD1 LEU 34 -0.961 -4.052 -10.996 282 3HD1 LEU 34 2HD1 LEU 34 -2.342 -5.148 -10.924 283 1HD2 LEU 34 3HD2 LEU 34 0.436 -4.547 -7.938 284 2HD2 LEU 34 2HD2 LEU 34 0.503 -5.777 -9.202 285 3HD2 LEU 34 1HD2 LEU 34 0.531 -4.066 -9.633 286 H ASP 35 H ASP 35 -3.159 -7.011 -7.242 287 HA ASP 35 HA ASP 35 -5.876 -6.348 -8.055 288 1HB ASP 35 2HB ASP 35 -6.035 -8.931 -7.982 289 2HB ASP 35 1HB ASP 35 -5.045 -8.191 -9.232 290 H ALA 36 H ALA 36 -4.440 -8.256 -5.375 291 HA ALA 36 HA ALA 36 -6.999 -8.502 -4.036 292 1HB ALA 36 3HB ALA 36 -4.963 -10.055 -3.776 293 2HB ALA 36 2HB ALA 36 -4.301 -8.812 -2.716 294 3HB ALA 36 1HB ALA 36 -5.815 -9.617 -2.295 295 H LEU 37 H LEU 37 -4.373 -6.252 -4.007 296 HA LEU 37 HA LEU 37 -5.121 -4.885 -1.564 297 1HB LEU 37 2HB LEU 37 -2.864 -4.678 -2.580 298 2HB LEU 37 1HB LEU 37 -3.585 -3.836 -3.954 299 HG LEU 37 HG LEU 37 -4.597 -2.544 -1.682 300 1HD1 LEU 37 1HD1 LEU 37 -1.660 -3.216 -1.433 301 2HD1 LEU 37 3HD1 LEU 37 -2.387 -1.826 -0.626 302 3HD1 LEU 37 2HD1 LEU 37 -2.932 -3.457 -0.235 303 1HD2 LEU 37 1HD2 LEU 37 -2.649 -1.946 -3.869 304 2HD2 LEU 37 3HD2 LEU 37 -4.193 -1.182 -3.497 305 3HD2 LEU 37 2HD2 LEU 37 -2.769 -0.800 -2.532 306 H TRP 38 H TRP 38 -5.530 -4.052 -5.015 307 HA TRP 38 HA TRP 38 -7.274 -1.835 -4.613 308 1HB TRP 38 2HB TRP 38 -6.244 -2.362 -6.787 309 2HB TRP 38 1HB TRP 38 -7.114 -3.887 -6.834 310 HD1 TRP 38 HD1 TRP 38 -8.970 -3.803 -8.451 311 HE1 TRP 38 HE1 TRP 38 -10.725 -2.087 -9.234 312 HE3 TRP 38 HE3 TRP 38 -7.615 0.230 -5.606 313 HZ2 TRP 38 HZ2 TRP 38 -11.446 0.625 -8.741 314 HZ3 TRP 38 HZ3 TRP 38 -8.841 2.367 -5.811 315 HH2 TRP 38 HH2 TRP 38 -10.759 2.569 -7.364 316 H ASP 39 H ASP 39 -7.789 -5.270 -4.828 317 HA ASP 39 HA ASP 39 -10.653 -5.229 -4.745 318 1HB ASP 39 2HB ASP 39 -8.521 -7.227 -4.413 319 2HB ASP 39 1HB ASP 39 -9.959 -7.557 -3.442 320 H ALA 40 H ALA 40 -8.158 -4.997 -2.324 321 HA ALA 40 HA ALA 40 -10.037 -5.234 -0.076 322 1HB ALA 40 1HB ALA 40 -7.569 -5.883 0.024 323 2HB ALA 40 3HB ALA 40 -7.210 -4.155 0.027 324 3HB ALA 40 2HB ALA 40 -8.147 -4.865 1.344 325 H LEU 41 H LEU 41 -7.767 -2.597 -0.871 326 HA LEU 41 HA LEU 41 -8.835 -0.501 0.472 327 1HB LEU 41 2HB LEU 41 -7.710 -0.608 -2.303 328 2HB LEU 41 1HB LEU 41 -8.340 0.915 -1.675 329 HG LEU 41 HG LEU 41 -6.465 -0.643 0.052 330 1HD1 LEU 41 1HD1 LEU 41 -5.606 1.095 -2.289 331 2HD1 LEU 41 3HD1 LEU 41 -4.527 0.427 -1.057 332 3HD1 LEU 41 2HD1 LEU 41 -5.374 -0.653 -2.170 333 1HD2 LEU 41 2HD2 LEU 41 -7.729 1.727 0.338 334 2HD2 LEU 41 1HD2 LEU 41 -6.194 1.341 1.114 335 3HD2 LEU 41 3HD2 LEU 41 -6.217 2.266 -0.386 336 H THR 42 H THR 42 -10.052 -1.759 -2.546 337 HA THR 42 HA THR 42 -12.326 0.084 -2.590 338 HB THR 42 HB THR 42 -12.993 -1.068 -4.592 339 HG1 THR 42 HG1 THR 42 -12.419 -3.085 -5.005 340 1HG2 THR 42 1HG2 THR 42 -10.007 -0.795 -4.255 341 2HG2 THR 42 3HG2 THR 42 -10.730 -1.231 -5.804 342 3HG2 THR 42 2HG2 THR 42 -11.125 0.314 -5.051 343 H GLY 43 H GLY 43 -12.257 -1.396 -0.118 344 1HA GLY 43 2HA GLY 43 -14.657 -2.000 0.680 345 2HA GLY 43 1HA GLY 43 -14.481 -3.338 -0.457 346 H TRP 44 H TRP 44 -12.124 -1.950 1.906 347 HA TRP 44 HA TRP 44 -12.369 -4.151 3.745 348 1HB TRP 44 2HB TRP 44 -11.390 -5.480 1.938 349 2HB TRP 44 1HB TRP 44 -10.079 -4.314 1.762 350 HD1 TRP 44 HD1 TRP 44 -8.696 -3.883 4.229 351 HE1 TRP 44 HE1 TRP 44 -7.857 -5.696 5.856 352 HE3 TRP 44 HE3 TRP 44 -11.622 -7.794 2.771 353 HZ2 TRP 44 HZ2 TRP 44 -8.364 -8.450 6.460 354 HZ3 TRP 44 HZ3 TRP 44 -11.430 -10.000 3.884 355 HH2 TRP 44 HH2 TRP 44 -9.803 -10.332 5.725 356 H VAL 45 H VAL 45 -10.337 -1.704 2.293 357 HA VAL 45 HA VAL 45 -8.587 -1.371 4.552 358 HB VAL 45 HB VAL 45 -9.213 0.152 2.055 359 1HG1 VAL 45 1HG1 VAL 45 -7.547 1.064 4.379 360 2HG1 VAL 45 3HG1 VAL 45 -7.277 1.651 2.738 361 3HG1 VAL 45 2HG1 VAL 45 -8.829 1.931 3.530 362 1HG2 VAL 45 3HG2 VAL 45 -7.007 -1.548 3.129 363 2HG2 VAL 45 2HG2 VAL 45 -7.710 -1.526 1.516 364 3HG2 VAL 45 1HG2 VAL 45 -6.576 -0.266 2.000 365 H GLU 46 H GLU 46 -11.615 0.058 3.581 366 HA GLU 46 HA GLU 46 -13.118 1.381 4.824 367 1HB GLU 46 2HB GLU 46 -11.906 -0.062 6.732 368 2HB GLU 46 1HB GLU 46 -11.272 1.528 7.158 369 1HG GLU 46 2HG GLU 46 -13.391 2.401 7.615 370 2HG GLU 46 1HG GLU 46 -14.209 1.202 6.611 371 H TYR 47 H TYR 47 -13.303 3.649 5.260 372 HA TYR 47 HA TYR 47 -10.796 5.248 5.099 373 1HB TYR 47 2HB TYR 47 -13.235 5.648 3.332 374 2HB TYR 47 1HB TYR 47 -11.777 6.639 3.311 375 HD1 TYR 47 HD2 TYR 47 -9.545 4.834 3.421 376 HD2 TYR 47 HD1 TYR 47 -13.331 4.310 1.437 377 HE1 TYR 47 HE2 TYR 47 -8.499 3.213 1.844 378 HE2 TYR 47 HE1 TYR 47 -12.276 2.710 -0.134 379 HH TYR 47 HH TYR 47 -9.476 1.220 0.387 380 HA PRO 48 HA PRO 48 -10.990 7.751 4.394 381 1HB PRO 48 2HB PRO 48 -9.808 9.620 6.022 382 2HB PRO 48 1HB PRO 48 -11.284 9.910 5.082 383 1HG PRO 48 2HG PRO 48 -10.988 9.389 8.013 384 2HG PRO 48 1HG PRO 48 -12.212 10.346 7.160 385 1HD PRO 48 2HD PRO 48 -12.616 7.760 8.150 386 2HD PRO 48 1HD PRO 48 -13.606 8.534 6.891 387 H LEU 49 H LEU 49 -8.886 7.151 4.035 388 HA LEU 49 HA LEU 49 -7.452 5.859 6.318 389 1HB LEU 49 2HB LEU 49 -7.917 4.127 4.805 390 2HB LEU 49 1HB LEU 49 -7.715 5.174 3.402 391 HG LEU 49 HG LEU 49 -5.237 5.321 4.047 392 1HD1 LEU 49 1HD1 LEU 49 -6.238 3.833 6.265 393 2HD1 LEU 49 3HD1 LEU 49 -5.187 2.759 5.342 394 3HD1 LEU 49 2HD1 LEU 49 -4.569 4.296 5.942 395 1HD2 LEU 49 3HD2 LEU 49 -6.730 3.382 2.624 396 2HD2 LEU 49 2HD2 LEU 49 -5.047 3.849 2.376 397 3HD2 LEU 49 1HD2 LEU 49 -5.445 2.526 3.475 398 H VAL 50 H VAL 50 -5.073 6.053 6.222 399 HA VAL 50 HA VAL 50 -4.176 8.447 4.669 400 HB VAL 50 HB VAL 50 -4.019 7.861 7.567 401 1HG1 VAL 50 2HG1 VAL 50 -1.581 8.540 5.969 402 2HG1 VAL 50 1HG1 VAL 50 -1.822 9.381 7.501 403 3HG1 VAL 50 3HG1 VAL 50 -1.719 7.620 7.467 404 1HG2 VAL 50 2HG2 VAL 50 -5.098 9.827 6.196 405 2HG2 VAL 50 1HG2 VAL 50 -4.309 10.167 7.737 406 3HG2 VAL 50 3HG2 VAL 50 -3.461 10.483 6.223 407 H LEU 51 H LEU 51 -3.045 7.393 3.036 408 HA LEU 51 HA LEU 51 -1.329 5.085 3.674 409 1HB LEU 51 2HB LEU 51 -2.606 5.310 1.499 410 2HB LEU 51 1HB LEU 51 -1.513 6.635 1.082 411 HG LEU 51 HG LEU 51 0.397 4.954 1.534 412 1HD1 LEU 51 3HD1 LEU 51 -2.020 3.203 1.545 413 2HD1 LEU 51 2HD1 LEU 51 -0.501 2.588 0.877 414 3HD1 LEU 51 1HD1 LEU 51 -0.578 3.119 2.564 415 1HD2 LEU 51 3HD2 LEU 51 -1.510 4.609 -0.777 416 2HD2 LEU 51 2HD2 LEU 51 -0.118 5.696 -0.704 417 3HD2 LEU 51 1HD2 LEU 51 0.123 3.950 -0.734 418 H GLU 52 H GLU 52 -0.154 6.694 5.259 419 HA GLU 52 HA GLU 52 1.584 8.689 4.127 420 1HB GLU 52 2HB GLU 52 1.180 8.841 6.470 421 2HB GLU 52 1HB GLU 52 1.619 7.151 6.731 422 1HG GLU 52 2HG GLU 52 3.867 7.591 6.700 423 2HG GLU 52 1HG GLU 52 3.705 8.870 5.495 424 H TRP 53 H TRP 53 2.506 7.544 2.276 425 HA TRP 53 HA TRP 53 4.069 5.139 2.690 426 1HB TRP 53 2HB TRP 53 2.936 6.042 0.507 427 2HB TRP 53 1HB TRP 53 4.444 6.946 0.318 428 HD1 TRP 53 HD1 TRP 53 6.723 5.212 0.814 429 HE1 TRP 53 HE1 TRP 53 7.104 2.891 -0.242 430 HE3 TRP 53 HE3 TRP 53 1.953 4.100 -0.591 431 HZ2 TRP 53 HZ2 TRP 53 5.570 0.838 -1.505 432 HZ3 TRP 53 HZ3 TRP 53 1.429 1.967 -1.724 433 HH2 TRP 53 HH2 TRP 53 3.239 0.321 -2.179 434 H ARG 54 H ARG 54 5.650 5.653 4.302 435 HA ARG 54 HA ARG 54 7.241 7.956 4.460 436 1HB ARG 54 2HB ARG 54 8.379 5.192 4.911 437 2HB ARG 54 1HB ARG 54 8.775 6.687 5.759 438 1HG ARG 54 2HG ARG 54 5.973 6.290 6.032 439 2HG ARG 54 1HG ARG 54 6.755 4.755 6.409 440 1HD ARG 54 2HD ARG 54 7.566 7.423 7.600 441 2HD ARG 54 1HD ARG 54 6.529 6.246 8.406 442 HE ARG 54 HE ARG 54 8.477 4.677 8.363 443 1HH1 ARG 54 2HH1 ARG 54 8.815 7.959 8.962 444 2HH1 ARG 54 1HH1 ARG 54 10.545 7.980 8.869 445 1HH2 ARG 54 1HH2 ARG 54 10.785 4.718 7.715 446 2HH2 ARG 54 2HH2 ARG 54 11.660 6.144 8.164 447 H GLN 55 H GLN 55 8.605 8.854 2.979 448 HA GLN 55 HA GLN 55 9.902 9.024 1.018 449 1HB GLN 55 2HB GLN 55 10.874 6.282 1.882 450 2HB GLN 55 1HB GLN 55 11.740 7.447 0.880 451 1HG GLN 55 2HG GLN 55 12.541 8.502 2.699 452 2HG GLN 55 1HG GLN 55 10.918 8.682 3.365 453 1HE2 GLN 55 2HE2 GLN 55 13.164 6.362 5.458 454 2HE2 GLN 55 1HE2 GLN 55 13.528 7.843 4.714 455 H PHE 56 H PHE 56 10.732 6.473 -0.448 456 HA PHE 56 HA PHE 56 8.443 4.994 -1.233 457 1HB PHE 56 2HB PHE 56 7.618 7.230 -1.977 458 2HB PHE 56 1HB PHE 56 9.012 7.363 -3.046 459 HD1 PHE 56 HD1 PHE 56 6.032 5.247 -2.288 460 HD2 PHE 56 HD2 PHE 56 9.010 6.344 -5.181 461 HE1 PHE 56 HE1 PHE 56 4.828 3.952 -4.017 462 HE2 PHE 56 HE2 PHE 56 7.809 5.047 -6.910 463 HZ PHE 56 HZ PHE 56 5.714 3.850 -6.331 464 H GLU 57 H GLU 57 10.770 6.717 -3.332 465 HA GLU 57 HA GLU 57 11.543 4.565 -4.920 466 1HB GLU 57 2HB GLU 57 12.284 6.894 -5.298 467 2HB GLU 57 1HB GLU 57 13.347 6.778 -3.895 468 1HG GLU 57 2HG GLU 57 14.702 5.107 -4.940 469 2HG GLU 57 1HG GLU 57 13.525 4.867 -6.233 470 H GLN 58 H GLN 58 12.511 5.277 -1.627 471 HA GLN 58 HA GLN 58 14.826 3.783 -1.294 472 1HB GLN 58 2HB GLN 58 13.618 3.096 0.991 473 2HB GLN 58 1HB GLN 58 14.180 4.742 0.700 474 1HG GLN 58 2HG GLN 58 12.064 5.572 0.482 475 2HG GLN 58 1HG GLN 58 11.458 4.111 -0.300 476 1HE2 GLN 58 2HE2 GLN 58 11.899 3.439 3.690 477 2HE2 GLN 58 1HE2 GLN 58 13.238 3.827 2.721 478 H SER 59 H SER 59 11.817 2.246 -0.189 479 HA SER 59 HA SER 59 12.900 -0.372 -0.874 480 1HB SER 59 2HB SER 59 11.610 -0.511 1.047 481 2HB SER 59 1HB SER 59 10.421 0.652 0.457 482 HG SER 59 HG SER 59 9.537 -0.900 -0.814 483 H LYS 60 H LYS 60 11.402 1.952 -2.715 484 HA LYS 60 HA LYS 60 9.696 0.159 -4.289 485 1HB LYS 60 2HB LYS 60 9.110 2.532 -3.959 486 2HB LYS 60 1HB LYS 60 10.574 2.998 -4.830 487 1HG LYS 60 2HG LYS 60 9.154 1.071 -6.406 488 2HG LYS 60 1HG LYS 60 8.029 2.341 -5.929 489 1HD LYS 60 2HD LYS 60 8.928 3.332 -7.810 490 2HD LYS 60 1HD LYS 60 10.084 3.904 -6.607 491 1HE LYS 60 2HE LYS 60 11.640 2.141 -7.162 492 2HE LYS 60 1HE LYS 60 10.455 1.359 -8.208 493 1HZ LYS 60 2HZ LYS 60 10.875 4.100 -8.898 494 2HZ LYS 60 1HZ LYS 60 12.313 3.199 -8.980 495 3HZ LYS 60 3HZ LYS 60 10.959 2.714 -9.877 496 H GLN 61 H GLN 61 13.010 1.261 -4.413 497 HA GLN 61 HA GLN 61 13.333 0.697 -7.257 498 1HB GLN 61 2HB GLN 61 14.733 2.227 -5.516 499 2HB GLN 61 1HB GLN 61 15.732 0.772 -5.535 500 1HG GLN 61 2HG GLN 61 14.796 1.686 -8.190 501 2HG GLN 61 1HG GLN 61 15.935 2.764 -7.383 502 1HE2 GLN 61 2HE2 GLN 61 18.431 0.023 -7.180 503 2HE2 GLN 61 1HE2 GLN 61 17.671 1.072 -6.083 504 H LEU 62 H LEU 62 14.917 -0.714 -4.462 505 HA LEU 62 HA LEU 62 16.083 -2.936 -5.521 506 1HB LEU 62 2HB LEU 62 14.906 -4.056 -3.257 507 2HB LEU 62 1HB LEU 62 16.465 -3.233 -3.324 508 HG LEU 62 HG LEU 62 15.402 -1.103 -2.789 509 1HD1 LEU 62 1HD1 LEU 62 13.021 -2.594 -3.539 510 2HD1 LEU 62 3HD1 LEU 62 12.816 -1.805 -1.982 511 3HD1 LEU 62 2HD1 LEU 62 13.237 -0.846 -3.403 512 1HD2 LEU 62 1HD2 LEU 62 16.006 -2.800 -0.972 513 2HD2 LEU 62 3HD2 LEU 62 14.862 -1.540 -0.513 514 3HD2 LEU 62 2HD2 LEU 62 14.283 -3.162 -0.885 515 H THR 63 H THR 63 12.661 -2.440 -5.288 516 HA THR 63 HA THR 63 12.112 -5.247 -6.047 517 HB THR 63 HB THR 63 10.722 -3.944 -4.333 518 HG1 THR 63 HG1 THR 63 8.728 -4.738 -5.361 519 1HG2 THR 63 2HG2 THR 63 10.568 -2.141 -6.511 520 2HG2 THR 63 1HG2 THR 63 8.950 -2.800 -6.276 521 3HG2 THR 63 3HG2 THR 63 9.780 -2.003 -4.940 522 H GLU 64 H GLU 64 9.653 -4.170 -7.535 523 HA GLU 64 HA GLU 64 10.807 -2.834 -9.870 524 1HB GLU 64 2HB GLU 64 10.090 -4.710 -11.411 525 2HB GLU 64 1HB GLU 64 11.487 -5.091 -10.404 526 1HG GLU 64 2HG GLU 64 10.380 -6.741 -9.328 527 2HG GLU 64 1HG GLU 64 8.961 -5.725 -9.080 528 H ASN 65 H ASN 65 9.074 -1.390 -9.021 529 HA ASN 65 HA ASN 65 6.962 -0.434 -9.494 530 1HB ASN 65 2HB ASN 65 7.208 -2.351 -11.470 531 2HB ASN 65 1HB ASN 65 5.726 -2.831 -10.643 532 1HD2 ASN 65 2HD2 ASN 65 5.584 0.285 -13.133 533 2HD2 ASN 65 1HD2 ASN 65 6.851 -0.845 -13.102 534 H GLY 66 H GLY 66 7.683 -3.071 -7.615 535 1HA GLY 66 2HA GLY 66 5.224 -4.099 -6.723 536 2HA GLY 66 1HA GLY 66 6.652 -3.937 -5.695 537 H ALA 67 H ALA 67 7.040 -1.491 -5.054 538 HA ALA 67 HA ALA 67 4.824 -0.671 -3.448 539 1HB ALA 67 2HB ALA 67 7.371 0.707 -4.310 540 2HB ALA 67 1HB ALA 67 6.184 1.511 -3.282 541 3HB ALA 67 3HB ALA 67 6.974 0.034 -2.729 542 H GLU 68 H GLU 68 6.093 0.643 -6.518 543 HA GLU 68 HA GLU 68 4.288 2.767 -6.820 544 1HB GLU 68 2HB GLU 68 6.095 1.261 -8.529 545 2HB GLU 68 1HB GLU 68 4.641 1.750 -9.399 546 1HG GLU 68 2HG GLU 68 5.139 4.054 -8.107 547 2HG GLU 68 1HG GLU 68 6.788 3.432 -8.203 548 H SER 69 H SER 69 3.676 -0.629 -6.951 549 HA SER 69 HA SER 69 1.226 -0.308 -8.546 550 1HB SER 69 2HB SER 69 2.813 -2.565 -7.499 551 2HB SER 69 1HB SER 69 1.072 -2.831 -7.480 552 HG SER 69 HG SER 69 2.465 -1.818 -9.730 553 H VAL 70 H VAL 70 1.883 -1.436 -5.177 554 HA VAL 70 HA VAL 70 -0.791 -1.461 -4.335 555 HB VAL 70 HB VAL 70 1.650 -0.548 -2.772 556 1HG1 VAL 70 2HG1 VAL 70 -1.060 -0.212 -2.134 557 2HG1 VAL 70 1HG1 VAL 70 -0.565 -1.638 -1.232 558 3HG1 VAL 70 3HG1 VAL 70 0.297 -0.116 -1.013 559 1HG2 VAL 70 1HG2 VAL 70 0.900 -3.095 -3.722 560 2HG2 VAL 70 3HG2 VAL 70 2.117 -2.747 -2.494 561 3HG2 VAL 70 2HG2 VAL 70 0.454 -3.089 -2.016 562 H LEU 71 H LEU 71 1.429 1.096 -5.019 563 HA LEU 71 HA LEU 71 -0.210 3.115 -3.784 564 1HB LEU 71 2HB LEU 71 2.321 3.230 -4.135 565 2HB LEU 71 1HB LEU 71 1.955 3.605 -5.820 566 HG LEU 71 HG LEU 71 0.814 5.599 -5.240 567 1HD1 LEU 71 2HD1 LEU 71 0.643 4.297 -2.567 568 2HD1 LEU 71 1HD1 LEU 71 0.723 6.062 -2.601 569 3HD1 LEU 71 3HD1 LEU 71 -0.582 5.220 -3.451 570 1HD2 LEU 71 2HD2 LEU 71 3.186 5.310 -3.380 571 2HD2 LEU 71 1HD2 LEU 71 3.264 5.761 -5.083 572 3HD2 LEU 71 3HD2 LEU 71 2.491 6.839 -3.920 573 H GLN 72 H GLN 72 0.374 2.032 -7.150 574 HA GLN 72 HA GLN 72 -1.231 4.008 -8.393 575 1HB GLN 72 2HB GLN 72 -0.418 1.226 -9.060 576 2HB GLN 72 1HB GLN 72 -1.822 1.857 -9.923 577 1HG GLN 72 2HG GLN 72 -0.475 3.879 -10.530 578 2HG GLN 72 1HG GLN 72 0.932 3.119 -9.785 579 1HE2 GLN 72 2HE2 GLN 72 0.600 0.357 -12.349 580 2HE2 GLN 72 1HE2 GLN 72 0.384 0.399 -10.666 581 H VAL 73 H VAL 73 -2.048 1.195 -6.553 582 HA VAL 73 HA VAL 73 -4.903 1.314 -7.175 583 HB VAL 73 HB VAL 73 -3.358 -0.290 -5.127 584 1HG1 VAL 73 3HG1 VAL 73 -5.800 0.125 -4.602 585 2HG1 VAL 73 2HG1 VAL 73 -6.182 -0.681 -6.123 586 3HG1 VAL 73 1HG1 VAL 73 -5.372 -1.570 -4.835 587 1HG2 VAL 73 3HG2 VAL 73 -3.522 -0.450 -7.923 588 2HG2 VAL 73 2HG2 VAL 73 -2.939 -1.712 -6.833 589 3HG2 VAL 73 1HG2 VAL 73 -4.633 -1.688 -7.336 590 H PHE 74 H PHE 74 -2.891 2.114 -4.316 591 HA PHE 74 HA PHE 74 -4.948 2.850 -2.577 592 1HB PHE 74 2HB PHE 74 -2.071 3.480 -2.899 593 2HB PHE 74 1HB PHE 74 -3.004 4.665 -2.003 594 HD1 PHE 74 HD2 PHE 74 -4.667 3.679 -0.191 595 HD2 PHE 74 HD1 PHE 74 -1.250 1.611 -1.771 596 HE1 PHE 74 HE2 PHE 74 -4.687 2.128 1.732 597 HE2 PHE 74 HE1 PHE 74 -1.292 0.069 0.171 598 HZ PHE 74 HZ PHE 74 -3.026 0.346 1.907 599 H ARG 75 H ARG 75 -3.053 4.853 -4.802 600 HA ARG 75 HA ARG 75 -4.622 7.215 -4.611 601 1HB ARG 75 2HB ARG 75 -2.581 6.132 -6.444 602 2HB ARG 75 1HB ARG 75 -3.720 7.244 -7.204 603 1HG ARG 75 2HG ARG 75 -2.961 9.043 -6.017 604 2HG ARG 75 1HG ARG 75 -2.684 8.090 -4.559 605 1HD ARG 75 2HD ARG 75 -0.649 9.046 -5.999 606 2HD ARG 75 1HD ARG 75 -0.549 7.481 -5.194 607 HE ARG 75 HE ARG 75 -0.695 6.415 -7.320 608 1HH1 ARG 75 1HH2 ARG 75 -2.598 7.206 -9.031 609 2HH1 ARG 75 2HH2 ARG 75 -1.936 8.423 -10.069 610 1HH2 ARG 75 2HH1 ARG 75 0.751 9.113 -7.989 611 2HH2 ARG 75 1HH1 ARG 75 -0.040 9.504 -9.479 612 H GLU 76 H GLU 76 -4.922 4.334 -6.744 613 HA GLU 76 HA GLU 76 -6.970 5.323 -8.436 614 1HB GLU 76 2HB GLU 76 -6.056 2.662 -7.536 615 2HB GLU 76 1HB GLU 76 -7.721 2.726 -8.108 616 1HG GLU 76 2HG GLU 76 -7.100 3.427 -10.244 617 2HG GLU 76 1HG GLU 76 -5.539 4.038 -9.696 618 H ALA 77 H ALA 77 -7.130 4.123 -5.135 619 HA ALA 77 HA ALA 77 -10.059 4.075 -5.089 620 1HB ALA 77 3HB ALA 77 -7.993 3.047 -3.459 621 2HB ALA 77 2HB ALA 77 -8.818 4.253 -2.469 622 3HB ALA 77 1HB ALA 77 -9.731 2.921 -3.171 623 H LYS 78 H LYS 78 -7.548 6.192 -3.640 624 HA LYS 78 HA LYS 78 -9.376 8.093 -2.587 625 1HB LYS 78 2HB LYS 78 -7.482 9.392 -2.179 626 2HB LYS 78 1HB LYS 78 -6.790 7.778 -2.261 627 1HG LYS 78 2HG LYS 78 -5.367 8.719 -3.768 628 2HG LYS 78 1HG LYS 78 -6.711 8.515 -4.892 629 1HD LYS 78 2HD LYS 78 -6.329 10.770 -5.189 630 2HD LYS 78 1HD LYS 78 -7.455 10.853 -3.834 631 1HE LYS 78 2HE LYS 78 -5.753 12.163 -2.984 632 2HE LYS 78 1HE LYS 78 -5.205 10.582 -2.425 633 1HZ LYS 78 2HZ LYS 78 -4.355 11.914 -4.941 634 2HZ LYS 78 1HZ LYS 78 -3.430 11.805 -3.520 635 3HZ LYS 78 3HZ LYS 78 -3.818 10.401 -4.389 636 H ALA 79 H ALA 79 -8.544 7.297 -5.791 637 HA ALA 79 HA ALA 79 -9.153 9.932 -6.951 638 1HB ALA 79 2HB ALA 79 -7.701 7.713 -7.795 639 2HB ALA 79 1HB ALA 79 -9.184 7.621 -8.753 640 3HB ALA 79 3HB ALA 79 -8.176 9.073 -8.815 641 H GLU 80 H GLU 80 -10.400 6.709 -7.691 642 HA GLU 80 HA GLU 80 -12.795 7.460 -8.867 643 1HB GLU 80 2HB GLU 80 -12.399 5.039 -7.087 644 2HB GLU 80 1HB GLU 80 -13.597 5.233 -8.364 645 1HG GLU 80 2HG GLU 80 -11.764 5.503 -10.021 646 2HG GLU 80 1HG GLU 80 -10.596 5.187 -8.738 647 H GLY 81 H GLY 81 -12.495 6.476 -5.401 648 1HA GLY 81 2HA GLY 81 -14.356 8.629 -4.676 649 2HA GLY 81 1HA GLY 81 -15.064 7.017 -4.552 650 H ALA 82 H ALA 82 -12.558 5.745 -3.705 651 HA ALA 82 HA ALA 82 -12.765 5.638 -0.991 652 1HB ALA 82 2HB ALA 82 -10.903 4.744 -2.798 653 2HB ALA 82 1HB ALA 82 -9.942 5.836 -1.798 654 3HB ALA 82 3HB ALA 82 -10.813 4.493 -1.058 655 H ASP 83 H ASP 83 -11.926 6.752 0.813 656 HA ASP 83 HA ASP 83 -11.142 9.583 0.267 657 1HB ASP 83 2HB ASP 83 -12.958 8.345 2.156 658 2HB ASP 83 1HB ASP 83 -11.706 9.240 3.018 659 H ILE 84 H ILE 84 -9.075 8.056 -0.160 660 HA ILE 84 HA ILE 84 -7.607 7.605 2.376 661 HB ILE 84 HB ILE 84 -7.048 6.829 -0.496 662 1HG1 ILE 84 2HG1 ILE 84 -7.260 4.835 1.657 663 2HG1 ILE 84 1HG1 ILE 84 -8.751 5.711 1.315 664 1HG2 ILE 84 2HG2 ILE 84 -4.949 7.306 0.788 665 2HG2 ILE 84 1HG2 ILE 84 -5.479 6.145 2.009 666 3HG2 ILE 84 3HG2 ILE 84 -5.116 5.600 0.369 667 1HD1 ILE 84 1HD1 ILE 84 -7.595 5.085 -1.188 668 2HD1 ILE 84 3HD1 ILE 84 -7.498 3.620 -0.213 669 3HD1 ILE 84 2HD1 ILE 84 -9.056 4.399 -0.479 670 H THR 85 H THR 85 -5.387 8.380 2.540 671 HA THR 85 HA THR 85 -4.936 10.914 1.024 672 HB THR 85 HB THR 85 -3.954 10.241 3.817 673 HG1 THR 85 HG1 THR 85 -6.328 10.603 3.364 674 1HG2 THR 85 1HG2 THR 85 -3.913 12.740 2.110 675 2HG2 THR 85 3HG2 THR 85 -3.598 12.755 3.845 676 3HG2 THR 85 2HG2 THR 85 -2.531 11.861 2.762 677 H ILE 86 H ILE 86 -3.657 9.943 -0.592 678 HA ILE 86 HA ILE 86 -1.500 8.128 0.114 679 HB ILE 86 HB ILE 86 -2.697 9.203 -2.357 680 1HG1 ILE 86 2HG1 ILE 86 -2.512 6.938 -3.057 681 2HG1 ILE 86 1HG1 ILE 86 -1.211 6.607 -1.916 682 1HG2 ILE 86 2HG2 ILE 86 0.261 8.534 -2.233 683 2HG2 ILE 86 1HG2 ILE 86 -0.673 8.629 -3.725 684 3HG2 ILE 86 3HG2 ILE 86 -0.453 10.068 -2.731 685 1HD1 ILE 86 1HD1 ILE 86 -3.488 7.531 -0.434 686 2HD1 ILE 86 3HD1 ILE 86 -4.016 6.258 -1.531 687 3HD1 ILE 86 2HD1 ILE 86 -2.719 5.942 -0.378 688 H ILE 87 H ILE 87 0.256 8.851 1.132 689 HA ILE 87 HA ILE 87 1.257 11.586 0.424 690 HB ILE 87 HB ILE 87 1.893 10.032 2.938 691 1HG1 ILE 87 2HG1 ILE 87 -0.287 12.079 2.430 692 2HG1 ILE 87 1HG1 ILE 87 -0.527 10.384 2.851 693 1HG2 ILE 87 1HG2 ILE 87 3.272 12.067 2.010 694 2HG2 ILE 87 3HG2 ILE 87 1.910 13.015 2.607 695 3HG2 ILE 87 2HG2 ILE 87 2.842 12.013 3.720 696 1HD1 ILE 87 3HD1 ILE 87 1.242 11.687 4.750 697 2HD1 ILE 87 2HD1 ILE 87 -0.302 12.531 4.640 698 3HD1 ILE 87 1HD1 ILE 87 -0.262 10.816 5.047 699 H LEU 88 H LEU 88 2.912 11.388 -1.002 700 HA LEU 88 HA LEU 88 4.773 9.077 -0.704 701 1HB LEU 88 2HB LEU 88 4.066 10.892 -3.007 702 2HB LEU 88 1HB LEU 88 5.541 9.924 -3.031 703 HG LEU 88 HG LEU 88 3.107 8.454 -2.227 704 1HD1 LEU 88 1HD1 LEU 88 2.697 10.193 -4.280 705 2HD1 LEU 88 3HD1 LEU 88 3.342 8.806 -5.159 706 3HD1 LEU 88 2HD1 LEU 88 1.901 8.624 -4.159 707 1HD2 LEU 88 3HD2 LEU 88 5.707 7.995 -3.372 708 2HD2 LEU 88 2HD2 LEU 88 4.555 6.811 -2.753 709 3HD2 LEU 88 1HD2 LEU 88 4.478 7.318 -4.441 710 H SER 89 HN SER 89 5.585 12.086 -2.323 711 HA SER 89 HA SER 89 7.278 13.651 -1.885 712 1HB SER 89 2HB SER 89 6.230 12.910 0.797 713 2HB SER 89 1HB SER 89 7.808 13.699 0.764 714 HG SER 89 HG SER 89 5.358 14.746 0.380 No H/Q in entry = 714 Start of MODEL 18 1 1H LYS 1 2H LYS 1 -8.458 5.156 8.974 2 2H LYS 1 1H LYS 1 -8.499 4.025 7.707 3 3H LYS 1 3H LYS 1 -9.301 3.693 9.164 4 HA LYS 1 HA LYS 1 -7.252 3.521 10.354 5 1HB LYS 1 2HB LYS 1 -6.743 2.022 7.795 6 2HB LYS 1 1HB LYS 1 -6.532 1.479 9.461 7 1HG LYS 1 2HG LYS 1 -9.222 2.084 8.203 8 2HG LYS 1 1HG LYS 1 -8.531 0.467 8.326 9 1HD LYS 1 2HD LYS 1 -8.306 1.612 10.901 10 2HD LYS 1 1HD LYS 1 -9.937 1.983 10.337 11 1HE LYS 1 2HE LYS 1 -10.476 -0.120 10.969 12 2HE LYS 1 1HE LYS 1 -9.580 -0.653 9.547 13 1HZ LYS 1 2HZ LYS 1 -8.208 -0.105 12.104 14 2HZ LYS 1 1HZ LYS 1 -8.928 -1.614 11.801 15 3HZ LYS 1 3HZ LYS 1 -7.681 -1.054 10.797 16 H LYS 2 H LYS 2 -4.801 3.378 10.083 17 HA LYS 2 HA LYS 2 -3.915 5.350 8.027 18 1HB LYS 2 2HB LYS 2 -2.616 6.518 9.561 19 2HB LYS 2 1HB LYS 2 -4.005 6.079 10.548 20 1HG LYS 2 2HG LYS 2 -2.280 5.430 11.947 21 2HG LYS 2 1HG LYS 2 -2.544 3.927 11.067 22 1HD LYS 2 2HD LYS 2 -0.231 4.176 10.863 23 2HD LYS 2 1HD LYS 2 -0.790 4.955 9.382 24 1HE LYS 2 2HE LYS 2 0.373 6.768 10.061 25 2HE LYS 2 1HE LYS 2 -0.902 6.998 11.259 26 1HZ LYS 2 2HZ LYS 2 0.633 5.121 12.416 27 2HZ LYS 2 1HZ LYS 2 1.801 6.048 11.604 28 3HZ LYS 2 3HZ LYS 2 0.759 6.788 12.719 29 H ALA 3 H ALA 3 -2.752 4.250 6.569 30 HA ALA 3 HA ALA 3 -1.093 1.956 7.453 31 1HB ALA 3 1HB ALA 3 -2.152 2.893 4.794 32 2HB ALA 3 3HB ALA 3 -0.789 1.776 4.863 33 3HB ALA 3 2HB ALA 3 -2.341 1.318 5.564 34 H VAL 4 H VAL 4 1.153 1.992 7.231 35 HA VAL 4 HA VAL 4 2.334 4.490 6.119 36 HB VAL 4 HB VAL 4 2.900 3.212 8.803 37 1HG1 VAL 4 2HG1 VAL 4 4.633 4.891 7.037 38 2HG1 VAL 4 1HG1 VAL 4 4.655 5.220 8.770 39 3HG1 VAL 4 3HG1 VAL 4 5.087 3.619 8.170 40 1HG2 VAL 4 2HG2 VAL 4 1.191 5.225 8.114 41 2HG2 VAL 4 1HG2 VAL 4 1.974 5.102 9.689 42 3HG2 VAL 4 3HG2 VAL 4 2.663 6.141 8.441 43 H ILE 5 H ILE 5 3.822 4.006 4.637 44 HA ILE 5 HA ILE 5 4.909 1.254 4.504 45 HB ILE 5 HB ILE 5 5.381 3.493 2.533 46 1HG1 ILE 5 2HG1 ILE 5 2.862 2.923 3.231 47 2HG1 ILE 5 1HG1 ILE 5 3.297 3.228 1.563 48 1HG2 ILE 5 3HG2 ILE 5 5.818 0.581 2.659 49 2HG2 ILE 5 2HG2 ILE 5 5.101 1.141 1.149 50 3HG2 ILE 5 1HG2 ILE 5 6.641 1.806 1.692 51 1HD1 ILE 5 2HD1 ILE 5 3.622 0.421 2.391 52 2HD1 ILE 5 1HD1 ILE 5 1.960 1.008 2.437 53 3HD1 ILE 5 3HD1 ILE 5 2.881 1.092 0.935 54 H ASN 6 H ASN 6 7.252 0.949 4.409 55 HA ASN 6 HA ASN 6 8.782 3.333 5.343 56 1HB ASN 6 2HB ASN 6 9.508 0.607 6.361 57 2HB ASN 6 1HB ASN 6 9.777 2.185 7.100 58 1HD2 ASN 6 2HD2 ASN 6 7.022 1.580 9.186 59 2HD2 ASN 6 1HD2 ASN 6 8.664 1.984 9.052 60 H GLY 7 H GLY 7 10.375 3.743 3.914 61 1HA GLY 7 2HA GLY 7 11.247 1.660 2.038 62 2HA GLY 7 1HA GLY 7 11.775 3.349 2.033 63 H GLU 8 H GLU 8 12.162 2.834 5.108 64 HA GLU 8 HA GLU 8 14.921 1.760 4.788 65 1HB GLU 8 2HB GLU 8 14.498 4.128 5.717 66 2HB GLU 8 1HB GLU 8 13.900 3.318 7.165 67 1HG GLU 8 2HG GLU 8 16.164 3.623 7.675 68 2HG GLU 8 1HG GLU 8 16.148 1.982 7.029 69 H GLN 9 H GLN 9 11.864 1.037 6.047 70 HA GLN 9 HA GLN 9 13.017 -0.941 7.959 71 1HB GLN 9 2HB GLN 9 11.061 0.850 8.473 72 2HB GLN 9 1HB GLN 9 10.081 -0.484 7.863 73 1HG GLN 9 2HG GLN 9 10.500 -1.787 9.679 74 2HG GLN 9 1HG GLN 9 12.190 -1.289 9.764 75 1HE2 GLN 9 2HE2 GLN 9 11.409 1.662 11.749 76 2HE2 GLN 9 1HE2 GLN 9 12.407 1.188 10.460 77 H ILE 10 H ILE 10 11.287 -0.546 5.020 78 HA ILE 10 HA ILE 10 10.335 -3.318 4.922 79 HB ILE 10 HB ILE 10 10.457 -1.144 2.811 80 1HG1 ILE 10 2HG1 ILE 10 8.884 -0.814 4.752 81 2HG1 ILE 10 1HG1 ILE 10 8.066 -0.954 3.197 82 1HG2 ILE 10 3HG2 ILE 10 9.702 -4.022 2.715 83 2HG2 ILE 10 2HG2 ILE 10 8.645 -2.894 1.865 84 3HG2 ILE 10 1HG2 ILE 10 10.356 -2.987 1.444 85 1HD1 ILE 10 2HD1 ILE 10 7.894 -3.480 3.738 86 2HD1 ILE 10 1HD1 ILE 10 8.289 -3.012 5.392 87 3HD1 ILE 10 3HD1 ILE 10 6.832 -2.383 4.622 88 H ARG 11 H ARG 11 12.056 -4.710 4.948 89 HA ARG 11 HA ARG 11 14.587 -4.244 3.671 90 1HB ARG 11 2HB ARG 11 13.720 -7.072 3.838 91 2HB ARG 11 1HB ARG 11 15.183 -6.304 4.460 92 1HG ARG 11 2HG ARG 11 13.682 -5.227 6.232 93 2HG ARG 11 1HG ARG 11 12.437 -6.364 5.705 94 1HD ARG 11 2HD ARG 11 14.458 -8.102 6.003 95 2HD ARG 11 1HD ARG 11 14.987 -6.887 7.167 96 HE ARG 11 HE ARG 11 12.278 -8.153 7.305 97 1HH1 ARG 11 1HH2 ARG 11 13.540 -5.762 8.967 98 2HH1 ARG 11 2HH2 ARG 11 13.793 -6.585 10.470 99 1HH2 ARG 11 2HH1 ARG 11 13.316 -9.746 9.124 100 2HH2 ARG 11 1HH1 ARG 11 13.665 -8.840 10.559 101 H SER 12 H SER 12 11.704 -6.032 2.666 102 HA SER 12 HA SER 12 12.455 -5.563 -0.163 103 1HB SER 12 2HB SER 12 12.346 -7.863 -0.800 104 2HB SER 12 1HB SER 12 13.401 -7.813 0.609 105 HG SER 12 HG SER 12 11.647 -8.451 1.878 106 H ILE 13 H ILE 13 10.552 -6.378 -1.603 107 HA ILE 13 HA ILE 13 8.178 -5.088 -0.848 108 HB ILE 13 HB ILE 13 8.849 -6.002 -3.159 109 1HG1 ILE 13 2HG1 ILE 13 6.458 -6.266 -3.817 110 2HG1 ILE 13 1HG1 ILE 13 6.032 -6.356 -2.107 111 1HG2 ILE 13 3HG2 ILE 13 7.485 -8.448 -1.999 112 2HG2 ILE 13 2HG2 ILE 13 7.918 -8.231 -3.695 113 3HG2 ILE 13 1HG2 ILE 13 9.181 -8.340 -2.469 114 1HD1 ILE 13 2HD1 ILE 13 7.641 -4.074 -2.313 115 2HD1 ILE 13 1HD1 ILE 13 6.597 -4.015 -3.732 116 3HD1 ILE 13 3HD1 ILE 13 5.888 -4.109 -2.121 117 H SER 14 H SER 14 9.395 -8.171 0.148 118 HA SER 14 HA SER 14 6.979 -9.480 0.872 119 1HB SER 14 2HB SER 14 9.802 -9.799 1.401 120 2HB SER 14 1HB SER 14 8.884 -10.053 2.883 121 HG SER 14 HG SER 14 8.114 -11.210 0.421 122 H ASP 15 H ASP 15 9.052 -7.265 2.768 123 HA ASP 15 HA ASP 15 7.332 -7.234 5.067 124 1HB ASP 15 2HB ASP 15 9.743 -5.864 4.130 125 2HB ASP 15 1HB ASP 15 8.689 -4.811 5.065 126 H LEU 16 H LEU 16 7.281 -5.677 2.015 127 HA LEU 16 HA LEU 16 5.628 -3.413 2.657 128 1HB LEU 16 2HB LEU 16 6.947 -3.757 0.525 129 2HB LEU 16 1HB LEU 16 5.731 -4.932 0.040 130 HG LEU 16 HG LEU 16 4.271 -3.311 -0.579 131 1HD1 LEU 16 2HD1 LEU 16 5.086 -1.810 1.928 132 2HD1 LEU 16 1HD1 LEU 16 3.895 -1.211 0.773 133 3HD1 LEU 16 3HD1 LEU 16 3.590 -2.705 1.661 134 1HD2 LEU 16 1HD2 LEU 16 6.521 -2.506 -1.415 135 2HD2 LEU 16 3HD2 LEU 16 5.282 -1.255 -1.282 136 3HD2 LEU 16 2HD2 LEU 16 6.537 -1.390 -0.050 137 H HIS 17 H HIS 17 4.834 -6.600 1.235 138 HA HIS 17 HA HIS 17 2.032 -6.329 1.204 139 1HB HIS 17 2HB HIS 17 3.660 -8.813 1.792 140 2HB HIS 17 1HB HIS 17 1.989 -8.793 1.224 141 HD1 HIS 17 HD1 HIS 17 2.741 -10.120 -0.909 142 HD2 HIS 17 HD2 HIS 17 4.497 -6.349 -0.563 143 HE1 HIS 17 HE1 HIS 17 3.796 -9.610 -3.151 144 H GLN 18 H GLN 18 4.209 -7.029 3.827 145 HA GLN 18 HA GLN 18 2.081 -7.819 5.659 146 1HB GLN 18 2HB GLN 18 4.912 -7.004 6.347 147 2HB GLN 18 1HB GLN 18 3.812 -7.962 7.338 148 1HG GLN 18 2HG GLN 18 3.764 -9.548 5.234 149 2HG GLN 18 1HG GLN 18 5.293 -8.755 4.853 150 1HE2 GLN 18 2HE2 GLN 18 6.039 -11.713 7.021 151 2HE2 GLN 18 1HE2 GLN 18 5.315 -11.500 5.501 152 H THR 19 H THR 19 3.753 -4.909 4.802 153 HA THR 19 HA THR 19 2.867 -3.379 7.096 154 HB THR 19 HB THR 19 3.963 -2.590 4.393 155 HG1 THR 19 HG1 THR 19 5.032 -2.228 6.984 156 1HG2 THR 19 2HG2 THR 19 2.422 -0.981 6.181 157 2HG2 THR 19 1HG2 THR 19 4.098 -0.444 6.266 158 3HG2 THR 19 3HG2 THR 19 3.265 -0.483 4.713 159 H LEU 20 H LEU 20 1.650 -3.922 3.871 160 HA LEU 20 HA LEU 20 -0.601 -2.075 4.225 161 1HB LEU 20 2HB LEU 20 -0.539 -4.236 2.140 162 2HB LEU 20 1HB LEU 20 -1.188 -2.591 2.019 163 HG LEU 20 HG LEU 20 1.709 -3.402 2.146 164 1HD1 LEU 20 1HD1 LEU 20 -0.089 -3.094 -0.011 165 2HD1 LEU 20 3HD1 LEU 20 0.962 -1.678 -0.039 166 3HD1 LEU 20 2HD1 LEU 20 1.661 -3.296 -0.103 167 1HD2 LEU 20 1HD2 LEU 20 1.088 -1.288 3.427 168 2HD2 LEU 20 3HD2 LEU 20 2.277 -1.072 2.142 169 3HD2 LEU 20 2HD2 LEU 20 0.597 -0.603 1.877 170 H LYS 21 H LYS 21 0.083 -5.500 4.400 171 HA LYS 21 HA LYS 21 -2.664 -6.319 4.846 172 1HB LYS 21 2HB LYS 21 0.031 -7.592 5.174 173 2HB LYS 21 1HB LYS 21 -1.360 -8.327 5.970 174 1HG LYS 21 2HG LYS 21 -2.203 -7.711 3.351 175 2HG LYS 21 1HG LYS 21 -0.611 -8.458 3.200 176 1HD LYS 21 2HD LYS 21 -2.895 -9.595 4.841 177 2HD LYS 21 1HD LYS 21 -2.443 -10.152 3.234 178 1HE LYS 21 2HE LYS 21 -0.608 -10.153 5.643 179 2HE LYS 21 1HE LYS 21 -1.448 -11.569 5.011 180 1HZ LYS 21 3HZ LYS 21 -0.112 -10.279 2.905 181 2HZ LYS 21 2HZ LYS 21 0.990 -10.509 4.178 182 3HZ LYS 21 1HZ LYS 21 0.152 -11.835 3.527 183 H LYS 22 H LYS 22 -0.135 -4.945 6.790 184 HA LYS 22 HA LYS 22 -1.355 -5.746 9.339 185 1HB LYS 22 2HB LYS 22 0.986 -5.554 9.481 186 2HB LYS 22 1HB LYS 22 1.015 -4.070 8.530 187 1HG LYS 22 2HG LYS 22 0.093 -2.790 10.338 188 2HG LYS 22 1HG LYS 22 -0.274 -4.247 11.264 189 1HD LYS 22 2HD LYS 22 1.839 -4.405 12.064 190 2HD LYS 22 1HD LYS 22 2.549 -4.054 10.488 191 1HE LYS 22 2HE LYS 22 1.225 -1.707 11.562 192 2HE LYS 22 1HE LYS 22 2.431 -2.321 12.694 193 1HZ LYS 22 2HZ LYS 22 3.470 -2.438 10.085 194 2HZ LYS 22 1HZ LYS 22 2.863 -0.873 10.356 195 3HZ LYS 22 3HZ LYS 22 4.025 -1.524 11.406 196 H GLU 23 H GLU 23 -0.976 -2.705 7.482 197 HA GLU 23 HA GLU 23 -2.567 -1.197 9.388 198 1HB GLU 23 2HB GLU 23 -1.970 -0.430 6.531 199 2HB GLU 23 1HB GLU 23 -2.330 0.644 7.884 200 1HG GLU 23 2HG GLU 23 0.045 -1.210 7.978 201 2HG GLU 23 1HG GLU 23 0.157 0.359 7.179 202 H LEU 24 H LEU 24 -3.124 -2.309 6.099 203 HA LEU 24 HA LEU 24 -5.908 -1.593 6.051 204 1HB LEU 24 2HB LEU 24 -4.644 -3.789 4.399 205 2HB LEU 24 1HB LEU 24 -6.004 -2.753 3.971 206 HG LEU 24 HG LEU 24 -3.296 -1.560 4.538 207 1HD1 LEU 24 2HD1 LEU 24 -4.277 -2.834 1.983 208 2HD1 LEU 24 1HD1 LEU 24 -3.002 -1.616 2.007 209 3HD1 LEU 24 3HD1 LEU 24 -2.772 -3.148 2.847 210 1HD2 LEU 24 1HD2 LEU 24 -5.719 -0.424 4.142 211 2HD2 LEU 24 3HD2 LEU 24 -4.205 0.344 3.674 212 3HD2 LEU 24 2HD2 LEU 24 -5.158 -0.528 2.473 213 H ALA 25 H ALA 25 -4.124 -4.241 7.377 214 HA ALA 25 HA ALA 25 -4.862 -6.038 8.700 215 1HB ALA 25 1HB ALA 25 -6.824 -4.075 8.981 216 2HB ALA 25 3HB ALA 25 -7.727 -5.522 8.529 217 3HB ALA 25 2HB ALA 25 -6.679 -5.544 9.948 218 H LEU 26 H LEU 26 -4.370 -6.626 6.120 219 HA LEU 26 HA LEU 26 -6.722 -7.895 4.888 220 1HB LEU 26 2HB LEU 26 -3.861 -8.198 3.981 221 2HB LEU 26 1HB LEU 26 -5.335 -8.265 3.009 222 HG LEU 26 HG LEU 26 -4.392 -5.774 4.455 223 1HD1 LEU 26 3HD1 LEU 26 -3.370 -6.964 2.086 224 2HD1 LEU 26 2HD1 LEU 26 -4.337 -5.576 1.588 225 3HD1 LEU 26 1HD1 LEU 26 -3.009 -5.363 2.728 226 1HD2 LEU 26 1HD2 LEU 26 -6.860 -6.546 3.222 227 2HD2 LEU 26 3HD2 LEU 26 -6.437 -4.987 3.930 228 3HD2 LEU 26 2HD2 LEU 26 -6.114 -5.299 2.224 229 HA PRO 27 HA PRO 27 -5.956 -11.956 6.384 230 1HB PRO 27 2HB PRO 27 -6.875 -13.415 4.248 231 2HB PRO 27 1HB PRO 27 -7.944 -12.544 5.366 232 1HG PRO 27 2HG PRO 27 -7.183 -11.847 2.572 233 2HG PRO 27 1HG PRO 27 -8.639 -11.407 3.479 234 1HD PRO 27 2HD PRO 27 -6.394 -9.737 2.997 235 2HD PRO 27 1HD PRO 27 -7.718 -9.414 4.138 236 H GLU 28 H GLU 28 -5.227 -14.236 5.052 237 HA GLU 28 HA GLU 28 -2.408 -13.731 4.463 238 1HB GLU 28 2HB GLU 28 -2.968 -15.699 5.754 239 2HB GLU 28 1HB GLU 28 -4.074 -16.261 4.499 240 1HG GLU 28 2HG GLU 28 -2.360 -17.358 3.542 241 2HG GLU 28 1HG GLU 28 -1.592 -15.803 3.220 242 H TYR 29 H TYR 29 -5.132 -15.172 2.638 243 HA TYR 29 HA TYR 29 -3.711 -15.573 0.222 244 1HB TYR 29 2HB TYR 29 -5.936 -15.643 -0.859 245 2HB TYR 29 1HB TYR 29 -5.903 -16.580 0.639 246 HD1 TYR 29 HD1 TYR 29 -6.636 -13.115 -0.597 247 HD2 TYR 29 HD2 TYR 29 -7.539 -16.194 2.258 248 HE1 TYR 29 HE1 TYR 29 -8.495 -11.739 0.297 249 HE2 TYR 29 HE2 TYR 29 -9.397 -14.816 3.156 250 HH TYR 29 HH TYR 29 -10.111 -11.591 1.805 251 H TYR 30 H TYR 30 -4.674 -12.634 1.650 252 HA TYR 30 HA TYR 30 -5.327 -10.941 -0.446 253 1HB TYR 30 2HB TYR 30 -5.206 -9.833 1.585 254 2HB TYR 30 1HB TYR 30 -3.690 -10.600 2.031 255 HD1 TYR 30 HD2 TYR 30 -5.139 -8.151 -0.402 256 HD2 TYR 30 HD1 TYR 30 -1.660 -9.429 1.769 257 HE1 TYR 30 HE2 TYR 30 -3.909 -6.146 -1.185 258 HE2 TYR 30 HE1 TYR 30 -0.434 -7.423 0.995 259 HH TYR 30 HH TYR 30 -1.271 -4.962 0.173 260 H GLY 31 H GLY 31 -4.061 -9.677 -1.947 261 1HA GLY 31 2HA GLY 31 -1.359 -10.835 -2.513 262 2HA GLY 31 1HA GLY 31 -2.505 -10.457 -3.804 263 H GLU 32 H GLU 32 0.221 -9.337 -3.215 264 HA GLU 32 HA GLU 32 -0.360 -6.537 -2.486 265 1HB GLU 32 2HB GLU 32 1.746 -7.796 -1.786 266 2HB GLU 32 1HB GLU 32 2.264 -7.675 -3.467 267 1HG GLU 32 2HG GLU 32 3.200 -5.722 -2.714 268 2HG GLU 32 1HG GLU 32 1.581 -5.105 -3.043 269 H ASN 33 H ASN 33 -1.589 -7.595 -4.909 270 HA ASN 33 HA ASN 33 -0.127 -6.015 -6.976 271 1HB ASN 33 2HB ASN 33 -2.126 -7.466 -8.277 272 2HB ASN 33 1HB ASN 33 -0.404 -7.826 -8.279 273 1HD2 ASN 33 2HD2 ASN 33 -2.788 -9.904 -5.634 274 2HD2 ASN 33 1HD2 ASN 33 -3.230 -8.326 -6.073 275 H LEU 34 H LEU 34 -2.042 -5.398 -8.754 276 HA LEU 34 HA LEU 34 -3.605 -3.415 -7.287 277 1HB LEU 34 2HB LEU 34 -4.134 -3.885 -10.178 278 2HB LEU 34 1HB LEU 34 -3.912 -2.368 -9.307 279 HG LEU 34 HG LEU 34 -1.784 -4.299 -10.247 280 1HD1 LEU 34 2HD1 LEU 34 -2.407 -1.373 -10.718 281 2HD1 LEU 34 1HD1 LEU 34 -0.885 -2.124 -11.202 282 3HD1 LEU 34 3HD1 LEU 34 -2.404 -2.676 -11.907 283 1HD2 LEU 34 1HD2 LEU 34 -1.817 -2.644 -7.869 284 2HD2 LEU 34 3HD2 LEU 34 -0.566 -3.751 -8.434 285 3HD2 LEU 34 2HD2 LEU 34 -0.582 -2.077 -8.993 286 H ASP 35 H ASP 35 -4.143 -6.635 -8.266 287 HA ASP 35 HA ASP 35 -7.034 -6.321 -8.614 288 1HB ASP 35 2HB ASP 35 -6.641 -8.991 -8.166 289 2HB ASP 35 1HB ASP 35 -6.645 -8.230 -9.752 290 H ALA 36 H ALA 36 -5.052 -8.144 -6.256 291 HA ALA 36 HA ALA 36 -7.251 -8.514 -4.449 292 1HB ALA 36 2HB ALA 36 -4.959 -9.797 -4.671 293 2HB ALA 36 1HB ALA 36 -4.418 -8.597 -3.496 294 3HB ALA 36 3HB ALA 36 -5.759 -9.676 -3.104 295 H LEU 37 H LEU 37 -4.529 -6.269 -4.430 296 HA LEU 37 HA LEU 37 -5.175 -5.011 -1.944 297 1HB LEU 37 2HB LEU 37 -3.021 -4.699 -3.178 298 2HB LEU 37 1HB LEU 37 -3.895 -3.713 -4.351 299 HG LEU 37 HG LEU 37 -4.665 -2.696 -1.860 300 1HD1 LEU 37 1HD1 LEU 37 -1.690 -3.283 -1.972 301 2HD1 LEU 37 3HD1 LEU 37 -2.429 -2.134 -0.856 302 3HD1 LEU 37 2HD1 LEU 37 -2.835 -3.847 -0.754 303 1HD2 LEU 37 2HD2 LEU 37 -2.868 -1.844 -4.103 304 2HD2 LEU 37 1HD2 LEU 37 -4.409 -1.170 -3.584 305 3HD2 LEU 37 3HD2 LEU 37 -2.952 -0.843 -2.651 306 H TRP 38 H TRP 38 -5.847 -3.899 -5.272 307 HA TRP 38 HA TRP 38 -7.547 -1.750 -4.590 308 1HB TRP 38 2HB TRP 38 -6.751 -2.178 -6.883 309 2HB TRP 38 1HB TRP 38 -7.662 -3.675 -6.911 310 HD1 TRP 38 HD1 TRP 38 -9.683 -3.525 -8.238 311 HE1 TRP 38 HE1 TRP 38 -11.474 -1.755 -8.800 312 HE3 TRP 38 HE3 TRP 38 -7.876 0.438 -5.571 313 HZ2 TRP 38 HZ2 TRP 38 -12.042 0.979 -8.217 314 HZ3 TRP 38 HZ3 TRP 38 -9.041 2.618 -5.625 315 HH2 TRP 38 HH2 TRP 38 -11.127 2.891 -6.932 316 H ASP 39 H ASP 39 -8.187 -5.166 -5.032 317 HA ASP 39 HA ASP 39 -11.003 -5.113 -4.671 318 1HB ASP 39 2HB ASP 39 -8.870 -7.136 -4.526 319 2HB ASP 39 1HB ASP 39 -10.267 -7.489 -3.508 320 H ALA 40 H ALA 40 -8.359 -5.021 -2.392 321 HA ALA 40 HA ALA 40 -10.136 -5.319 -0.072 322 1HB ALA 40 2HB ALA 40 -7.645 -6.003 -0.184 323 2HB ALA 40 1HB ALA 40 -7.304 -4.287 0.042 324 3HB ALA 40 3HB ALA 40 -8.204 -5.177 1.272 325 H LEU 41 H LEU 41 -7.852 -2.699 -0.897 326 HA LEU 41 HA LEU 41 -8.733 -0.673 0.664 327 1HB LEU 41 2HB LEU 41 -7.812 -0.669 -2.173 328 2HB LEU 41 1HB LEU 41 -8.415 0.837 -1.481 329 HG LEU 41 HG LEU 41 -6.455 -0.767 0.108 330 1HD1 LEU 41 1HD1 LEU 41 -5.504 -0.666 -2.187 331 2HD1 LEU 41 3HD1 LEU 41 -5.680 1.091 -2.167 332 3HD1 LEU 41 2HD1 LEU 41 -4.569 0.299 -1.039 333 1HD2 LEU 41 1HD2 LEU 41 -7.720 1.527 0.631 334 2HD2 LEU 41 3HD2 LEU 41 -6.077 1.219 1.191 335 3HD2 LEU 41 2HD2 LEU 41 -6.347 2.188 -0.259 336 H THR 42 H THR 42 -10.124 -1.074 -2.567 337 HA THR 42 HA THR 42 -12.487 0.459 -1.713 338 HB THR 42 HB THR 42 -11.574 0.811 -3.977 339 HG1 THR 42 HG1 THR 42 -13.590 1.227 -4.319 340 1HG2 THR 42 1HG2 THR 42 -11.802 -2.126 -4.020 341 2HG2 THR 42 3HG2 THR 42 -12.357 -1.325 -5.489 342 3HG2 THR 42 2HG2 THR 42 -10.709 -1.067 -4.913 343 H GLY 43 H GLY 43 -12.428 -1.714 -0.128 344 1HA GLY 43 2HA GLY 43 -14.869 -2.899 -0.160 345 2HA GLY 43 1HA GLY 43 -13.995 -3.897 -1.324 346 H TRP 44 H TRP 44 -12.504 -2.439 1.564 347 HA TRP 44 HA TRP 44 -12.747 -4.765 3.237 348 1HB TRP 44 2HB TRP 44 -11.290 -5.837 1.598 349 2HB TRP 44 1HB TRP 44 -10.164 -4.482 1.679 350 HD1 TRP 44 HD1 TRP 44 -9.177 -4.001 4.271 351 HE1 TRP 44 HE1 TRP 44 -8.365 -5.742 5.987 352 HE3 TRP 44 HE3 TRP 44 -11.453 -8.182 2.426 353 HZ2 TRP 44 HZ2 TRP 44 -8.644 -8.544 6.510 354 HZ3 TRP 44 HZ3 TRP 44 -11.164 -10.372 3.551 355 HH2 TRP 44 HH2 TRP 44 -9.764 -10.557 5.589 356 H VAL 45 H VAL 45 -10.608 -2.141 2.253 357 HA VAL 45 HA VAL 45 -9.591 -1.618 4.907 358 HB VAL 45 HB VAL 45 -9.525 -0.287 2.228 359 1HG1 VAL 45 3HG1 VAL 45 -9.958 1.545 3.809 360 2HG1 VAL 45 2HG1 VAL 45 -8.579 1.026 4.782 361 3HG1 VAL 45 1HG1 VAL 45 -8.325 1.633 3.147 362 1HG2 VAL 45 1HG2 VAL 45 -7.466 -1.239 4.233 363 2HG2 VAL 45 3HG2 VAL 45 -7.861 -1.975 2.679 364 3HG2 VAL 45 2HG2 VAL 45 -7.055 -0.406 2.733 365 H GLU 46 H GLU 46 -9.972 0.617 5.925 366 HA GLU 46 HA GLU 46 -12.844 1.402 5.637 367 1HB GLU 46 2HB GLU 46 -11.228 0.728 8.038 368 2HB GLU 46 1HB GLU 46 -12.275 2.140 8.187 369 1HG GLU 46 2HG GLU 46 -13.457 -0.289 6.930 370 2HG GLU 46 1HG GLU 46 -13.164 -0.348 8.669 371 H TYR 47 H TYR 47 -12.892 3.382 4.736 372 HA TYR 47 HA TYR 47 -10.623 5.233 5.121 373 1HB TYR 47 2HB TYR 47 -13.116 5.524 3.420 374 2HB TYR 47 1HB TYR 47 -11.657 6.513 3.315 375 HD1 TYR 47 HD2 TYR 47 -9.446 4.672 3.468 376 HD2 TYR 47 HD1 TYR 47 -13.253 4.150 1.538 377 HE1 TYR 47 HE2 TYR 47 -8.434 3.011 1.920 378 HE2 TYR 47 HE1 TYR 47 -12.236 2.500 -0.009 379 HH TYR 47 HH TYR 47 -9.669 2.155 -0.875 380 HA PRO 48 HA PRO 48 -10.837 7.662 4.409 381 1HB PRO 48 2HB PRO 48 -9.657 9.562 6.010 382 2HB PRO 48 1HB PRO 48 -11.132 9.836 5.061 383 1HG PRO 48 2HG PRO 48 -10.842 9.361 8.001 384 2HG PRO 48 1HG PRO 48 -12.063 10.307 7.131 385 1HD PRO 48 2HD PRO 48 -12.479 7.738 8.158 386 2HD PRO 48 1HD PRO 48 -13.458 8.493 6.879 387 H LEU 49 H LEU 49 -8.770 6.980 4.060 388 HA LEU 49 HA LEU 49 -7.368 5.690 6.358 389 1HB LEU 49 2HB LEU 49 -7.831 3.986 4.832 390 2HB LEU 49 1HB LEU 49 -7.640 5.050 3.442 391 HG LEU 49 HG LEU 49 -5.151 5.156 4.038 392 1HD1 LEU 49 1HD1 LEU 49 -6.107 3.699 6.278 393 2HD1 LEU 49 3HD1 LEU 49 -5.160 2.566 5.314 394 3HD1 LEU 49 2HD1 LEU 49 -4.431 4.066 5.880 395 1HD2 LEU 49 2HD2 LEU 49 -6.728 3.101 2.749 396 2HD2 LEU 49 1HD2 LEU 49 -5.167 3.777 2.270 397 3HD2 LEU 49 3HD2 LEU 49 -5.236 2.428 3.407 398 H VAL 50 H VAL 50 -4.966 5.796 6.260 399 HA VAL 50 HA VAL 50 -4.004 8.248 4.836 400 HB VAL 50 HB VAL 50 -3.818 7.457 7.695 401 1HG1 VAL 50 3HG1 VAL 50 -1.425 8.250 6.094 402 2HG1 VAL 50 2HG1 VAL 50 -1.642 9.032 7.658 403 3HG1 VAL 50 1HG1 VAL 50 -1.523 7.275 7.561 404 1HG2 VAL 50 3HG2 VAL 50 -3.655 10.065 6.163 405 2HG2 VAL 50 2HG2 VAL 50 -5.082 9.413 6.970 406 3HG2 VAL 50 1HG2 VAL 50 -3.691 9.935 7.921 407 H LEU 51 H LEU 51 -2.987 7.155 3.118 408 HA LEU 51 HA LEU 51 -1.238 4.853 3.678 409 1HB LEU 51 2HB LEU 51 -2.580 5.037 1.559 410 2HB LEU 51 1HB LEU 51 -1.575 6.421 1.109 411 HG LEU 51 HG LEU 51 0.428 4.810 1.490 412 1HD1 LEU 51 2HD1 LEU 51 -1.919 3.014 1.625 413 2HD1 LEU 51 1HD1 LEU 51 -0.530 2.444 0.690 414 3HD1 LEU 51 3HD1 LEU 51 -0.339 2.861 2.399 415 1HD2 LEU 51 3HD2 LEU 51 -1.501 4.459 -0.800 416 2HD2 LEU 51 2HD2 LEU 51 -0.182 5.631 -0.706 417 3HD2 LEU 51 1HD2 LEU 51 0.172 3.906 -0.809 418 H GLU 52 H GLU 52 -0.030 6.507 5.216 419 HA GLU 52 HA GLU 52 1.659 8.497 4.032 420 1HB GLU 52 2HB GLU 52 1.329 8.629 6.385 421 2HB GLU 52 1HB GLU 52 1.796 6.944 6.621 422 1HG GLU 52 2HG GLU 52 3.968 7.510 6.809 423 2HG GLU 52 1HG GLU 52 3.915 8.405 5.289 424 H TRP 53 H TRP 53 2.551 7.358 2.130 425 HA TRP 53 HA TRP 53 4.199 5.000 2.546 426 1HB TRP 53 2HB TRP 53 2.998 5.857 0.353 427 2HB TRP 53 1HB TRP 53 4.517 6.736 0.122 428 HD1 TRP 53 HD1 TRP 53 6.769 4.985 0.707 429 HE1 TRP 53 HE1 TRP 53 7.132 2.632 -0.281 430 HE3 TRP 53 HE3 TRP 53 2.005 3.893 -0.736 431 HZ2 TRP 53 HZ2 TRP 53 5.593 0.562 -1.514 432 HZ3 TRP 53 HZ3 TRP 53 1.474 1.735 -1.822 433 HH2 TRP 53 HH2 TRP 53 3.267 0.060 -2.209 434 H ARG 54 H ARG 54 6.021 5.288 3.788 435 HA ARG 54 HA ARG 54 7.354 7.664 4.340 436 1HB ARG 54 2HB ARG 54 8.271 4.809 4.294 437 2HB ARG 54 1HB ARG 54 9.425 6.095 4.640 438 1HG ARG 54 2HG ARG 54 6.795 5.745 6.107 439 2HG ARG 54 1HG ARG 54 8.344 5.145 6.701 440 1HD ARG 54 2HD ARG 54 9.235 7.487 6.567 441 2HD ARG 54 1HD ARG 54 7.612 8.035 6.150 442 HE ARG 54 HE ARG 54 7.164 6.673 8.476 443 1HH1 ARG 54 1HH2 ARG 54 9.802 6.946 9.548 444 2HH1 ARG 54 2HH2 ARG 54 9.840 8.539 10.226 445 1HH2 ARG 54 2HH1 ARG 54 7.061 9.641 8.470 446 2HH2 ARG 54 1HH1 ARG 54 8.288 10.064 9.616 447 H GLN 55 H GLN 55 9.658 5.628 2.776 448 HA GLN 55 HA GLN 55 10.541 7.841 1.128 449 1HB GLN 55 2HB GLN 55 11.522 5.198 1.903 450 2HB GLN 55 1HB GLN 55 11.892 5.598 0.226 451 1HG GLN 55 2HG GLN 55 13.713 6.508 1.419 452 2HG GLN 55 1HG GLN 55 12.654 7.895 1.165 453 1HE2 GLN 55 2HE2 GLN 55 12.823 8.460 4.649 454 2HE2 GLN 55 1HE2 GLN 55 13.131 9.068 3.095 455 H PHE 56 H PHE 56 9.552 4.523 0.193 456 HA PHE 56 HA PHE 56 8.161 3.872 -1.618 457 1HB PHE 56 2HB PHE 56 7.057 6.151 -1.450 458 2HB PHE 56 1HB PHE 56 8.273 6.744 -2.581 459 HD1 PHE 56 HD2 PHE 56 5.509 4.299 -2.170 460 HD2 PHE 56 HD1 PHE 56 8.159 6.272 -4.909 461 HE1 PHE 56 HE2 PHE 56 4.191 3.423 -4.072 462 HE2 PHE 56 HE1 PHE 56 6.842 5.401 -6.813 463 HZ PHE 56 HZ PHE 56 4.854 3.978 -6.398 464 H GLU 57 H GLU 57 10.705 6.272 -2.343 465 HA GLU 57 HA GLU 57 11.349 5.247 -4.934 466 1HB GLU 57 2HB GLU 57 12.086 7.466 -3.893 467 2HB GLU 57 1HB GLU 57 13.321 6.538 -3.041 468 1HG GLU 57 2HG GLU 57 14.523 6.118 -4.951 469 2HG GLU 57 1HG GLU 57 13.083 6.068 -5.970 470 H GLN 58 H GLN 58 12.543 4.415 -1.702 471 HA GLN 58 HA GLN 58 14.472 2.497 -2.799 472 1HB GLN 58 2HB GLN 58 14.181 1.836 -0.111 473 2HB GLN 58 1HB GLN 58 15.415 2.890 -0.791 474 1HG GLN 58 2HG GLN 58 12.695 3.919 0.039 475 2HG GLN 58 1HG GLN 58 14.057 3.842 1.155 476 1HE2 GLN 58 2HE2 GLN 58 15.972 6.292 -0.787 477 2HE2 GLN 58 1HE2 GLN 58 16.213 4.785 -0.042 478 H SER 59 H SER 59 11.523 2.170 -0.784 479 HA SER 59 HA SER 59 11.354 -0.642 -0.878 480 1HB SER 59 2HB SER 59 9.650 1.532 -0.111 481 2HB SER 59 1HB SER 59 8.706 0.390 -1.069 482 HG SER 59 HG SER 59 9.050 0.063 1.349 483 H LYS 60 H LYS 60 10.706 1.721 -3.340 484 HA LYS 60 HA LYS 60 9.185 -0.132 -5.035 485 1HB LYS 60 2HB LYS 60 8.842 2.371 -4.959 486 2HB LYS 60 1HB LYS 60 10.383 2.525 -5.808 487 1HG LYS 60 2HG LYS 60 9.434 0.937 -7.560 488 2HG LYS 60 1HG LYS 60 7.868 1.146 -6.776 489 1HD LYS 60 2HD LYS 60 7.564 3.126 -7.803 490 2HD LYS 60 1HD LYS 60 9.107 3.722 -7.188 491 1HE LYS 60 2HE LYS 60 10.283 2.585 -9.036 492 2HE LYS 60 1HE LYS 60 8.740 1.997 -9.655 493 1HZ LYS 60 3HZ LYS 60 8.151 4.529 -9.547 494 2HZ LYS 60 2HZ LYS 60 9.835 4.714 -9.663 495 3HZ LYS 60 1HZ LYS 60 8.984 3.887 -10.878 496 H GLN 61 H GLN 61 12.530 0.912 -4.718 497 HA GLN 61 HA GLN 61 13.313 -0.055 -7.348 498 1HB GLN 61 2HB GLN 61 14.604 1.723 -6.333 499 2HB GLN 61 1HB GLN 61 14.944 0.717 -4.925 500 1HG GLN 61 2HG GLN 61 16.486 -0.580 -6.047 501 2HG GLN 61 1HG GLN 61 15.685 -0.371 -7.604 502 1HE2 GLN 61 2HE2 GLN 61 18.436 1.804 -8.273 503 2HE2 GLN 61 1HE2 GLN 61 17.811 0.250 -8.545 504 H LEU 62 H LEU 62 14.348 -1.113 -4.165 505 HA LEU 62 HA LEU 62 15.601 -3.463 -4.693 506 1HB LEU 62 2HB LEU 62 14.028 -4.313 -2.585 507 2HB LEU 62 1HB LEU 62 15.542 -3.418 -2.435 508 HG LEU 62 HG LEU 62 14.306 -1.300 -2.439 509 1HD1 LEU 62 3HD1 LEU 62 12.146 -3.099 -3.286 510 2HD1 LEU 62 2HD1 LEU 62 11.665 -1.977 -2.026 511 3HD1 LEU 62 1HD1 LEU 62 12.316 -1.362 -3.547 512 1HD2 LEU 62 2HD2 LEU 62 14.657 -2.623 -0.309 513 2HD2 LEU 62 1HD2 LEU 62 13.308 -1.488 -0.265 514 3HD2 LEU 62 3HD2 LEU 62 13.004 -3.211 -0.490 515 H THR 63 H THR 63 12.203 -2.915 -5.111 516 HA THR 63 HA THR 63 11.833 -5.770 -5.886 517 HB THR 63 HB THR 63 10.291 -4.682 -4.162 518 HG1 THR 63 HG1 THR 63 8.453 -5.633 -5.139 519 1HG2 THR 63 1HG2 THR 63 10.095 -2.753 -6.243 520 2HG2 THR 63 3HG2 THR 63 8.510 -3.504 -6.059 521 3HG2 THR 63 2HG2 THR 63 9.291 -2.742 -4.673 522 H GLU 64 H GLU 64 9.355 -4.723 -7.412 523 HA GLU 64 HA GLU 64 10.473 -3.148 -9.587 524 1HB GLU 64 2HB GLU 64 9.870 -5.114 -11.229 525 2HB GLU 64 1HB GLU 64 11.446 -5.102 -10.438 526 1HG GLU 64 2HG GLU 64 10.541 -6.576 -8.656 527 2HG GLU 64 1HG GLU 64 8.997 -6.630 -9.509 528 H ASN 65 H ASN 65 8.597 -1.911 -8.967 529 HA ASN 65 HA ASN 65 6.420 -1.196 -9.580 530 1HB ASN 65 2HB ASN 65 5.824 -4.005 -10.497 531 2HB ASN 65 1HB ASN 65 5.062 -2.500 -11.016 532 1HD2 ASN 65 2HD2 ASN 65 8.110 -3.852 -13.162 533 2HD2 ASN 65 1HD2 ASN 65 7.152 -4.799 -12.131 534 H GLY 66 H GLY 66 7.329 -3.706 -7.521 535 1HA GLY 66 2HA GLY 66 4.907 -4.679 -6.471 536 2HA GLY 66 1HA GLY 66 6.383 -4.480 -5.522 537 H ALA 67 H ALA 67 6.726 -1.765 -5.443 538 HA ALA 67 HA ALA 67 4.572 -0.966 -3.632 539 1HB ALA 67 2HB ALA 67 7.135 0.348 -4.547 540 2HB ALA 67 1HB ALA 67 5.976 1.178 -3.507 541 3HB ALA 67 3HB ALA 67 6.756 -0.304 -2.953 542 H GLU 68 H GLU 68 5.875 0.268 -6.722 543 HA GLU 68 HA GLU 68 4.135 2.429 -7.069 544 1HB GLU 68 2HB GLU 68 6.120 1.427 -8.552 545 2HB GLU 68 1HB GLU 68 4.759 0.770 -9.462 546 1HG GLU 68 2HG GLU 68 4.067 3.441 -8.886 547 2HG GLU 68 1HG GLU 68 5.754 3.484 -9.399 548 H SER 69 H SER 69 3.407 -0.947 -7.160 549 HA SER 69 HA SER 69 0.944 -0.559 -8.718 550 1HB SER 69 2HB SER 69 2.549 -2.812 -7.827 551 2HB SER 69 1HB SER 69 0.847 -3.076 -7.476 552 HG SER 69 HG SER 69 1.392 -3.754 -9.587 553 H VAL 70 H VAL 70 1.598 -1.736 -5.375 554 HA VAL 70 HA VAL 70 -1.047 -1.649 -4.469 555 HB VAL 70 HB VAL 70 1.503 -0.902 -2.993 556 1HG1 VAL 70 3HG1 VAL 70 -1.203 -0.454 -2.232 557 2HG1 VAL 70 2HG1 VAL 70 -0.609 -1.798 -1.263 558 3HG1 VAL 70 1HG1 VAL 70 0.242 -0.251 -1.243 559 1HG2 VAL 70 1HG2 VAL 70 -0.169 -3.431 -3.146 560 2HG2 VAL 70 3HG2 VAL 70 1.497 -3.224 -3.685 561 3HG2 VAL 70 2HG2 VAL 70 1.115 -3.184 -1.964 562 H LEU 71 H LEU 71 1.232 0.833 -5.230 563 HA LEU 71 HA LEU 71 -0.315 2.889 -3.928 564 1HB LEU 71 2HB LEU 71 2.220 2.942 -4.347 565 2HB LEU 71 1HB LEU 71 1.807 3.380 -6.007 566 HG LEU 71 HG LEU 71 0.694 5.366 -5.308 567 1HD1 LEU 71 3HD1 LEU 71 0.653 3.968 -2.682 568 2HD1 LEU 71 2HD1 LEU 71 0.784 5.731 -2.642 569 3HD1 LEU 71 1HD1 LEU 71 -0.592 4.964 -3.451 570 1HD2 LEU 71 3HD2 LEU 71 3.260 5.263 -5.177 571 2HD2 LEU 71 2HD2 LEU 71 2.475 6.601 -4.336 572 3HD2 LEU 71 1HD2 LEU 71 3.049 5.202 -3.427 573 H GLN 72 H GLN 72 0.186 1.824 -7.315 574 HA GLN 72 HA GLN 72 -1.365 3.831 -8.541 575 1HB GLN 72 2HB GLN 72 -0.847 0.949 -9.156 576 2HB GLN 72 1HB GLN 72 -2.118 1.776 -10.056 577 1HG GLN 72 2HG GLN 72 -0.640 3.080 -11.197 578 2HG GLN 72 1HG GLN 72 0.409 3.288 -9.794 579 1HE2 GLN 72 2HE2 GLN 72 0.958 -0.399 -11.460 580 2HE2 GLN 72 1HE2 GLN 72 -0.573 0.070 -10.897 581 H VAL 73 H VAL 73 -2.299 1.033 -6.708 582 HA VAL 73 HA VAL 73 -5.156 1.360 -7.196 583 HB VAL 73 HB VAL 73 -3.643 -0.338 -5.208 584 1HG1 VAL 73 1HG1 VAL 73 -6.044 0.263 -4.620 585 2HG1 VAL 73 3HG1 VAL 73 -6.516 -0.576 -6.096 586 3HG1 VAL 73 2HG1 VAL 73 -5.714 -1.461 -4.800 587 1HG2 VAL 73 2HG2 VAL 73 -4.144 -0.497 -8.032 588 2HG2 VAL 73 1HG2 VAL 73 -3.255 -1.630 -7.005 589 3HG2 VAL 73 3HG2 VAL 73 -5.004 -1.812 -7.223 590 H PHE 74 H PHE 74 -3.014 1.964 -4.388 591 HA PHE 74 HA PHE 74 -4.926 2.798 -2.555 592 1HB PHE 74 2HB PHE 74 -2.044 3.261 -3.020 593 2HB PHE 74 1HB PHE 74 -2.848 4.513 -2.090 594 HD1 PHE 74 HD2 PHE 74 -4.546 3.583 -0.225 595 HD2 PHE 74 HD1 PHE 74 -1.217 1.423 -1.868 596 HE1 PHE 74 HE2 PHE 74 -4.555 2.051 1.710 597 HE2 PHE 74 HE1 PHE 74 -1.244 -0.098 0.088 598 HZ PHE 74 HZ PHE 74 -2.927 0.228 1.864 599 H ARG 75 H ARG 75 -3.056 4.747 -4.835 600 HA ARG 75 HA ARG 75 -4.497 7.176 -4.511 601 1HB ARG 75 2HB ARG 75 -2.594 6.047 -6.464 602 2HB ARG 75 1HB ARG 75 -3.703 7.240 -7.141 603 1HG ARG 75 2HG ARG 75 -2.856 8.957 -5.867 604 2HG ARG 75 1HG ARG 75 -2.448 7.895 -4.518 605 1HD ARG 75 2HD ARG 75 -0.380 8.638 -5.540 606 2HD ARG 75 1HD ARG 75 -0.599 6.931 -5.925 607 HE ARG 75 HE ARG 75 -1.544 7.799 -8.161 608 1HH1 ARG 75 2HH1 ARG 75 -0.646 10.554 -6.690 609 2HH1 ARG 75 1HH1 ARG 75 0.620 10.996 -7.786 610 1HH2 ARG 75 1HH2 ARG 75 0.675 7.919 -9.383 611 2HH2 ARG 75 2HH2 ARG 75 1.368 9.505 -9.311 612 H GLU 76 H GLU 76 -5.016 4.379 -6.720 613 HA GLU 76 HA GLU 76 -7.125 5.512 -8.249 614 1HB GLU 76 2HB GLU 76 -6.201 2.803 -7.559 615 2HB GLU 76 1HB GLU 76 -7.907 2.908 -7.981 616 1HG GLU 76 2HG GLU 76 -7.454 3.774 -10.112 617 2HG GLU 76 1HG GLU 76 -5.814 4.248 -9.668 618 H ALA 77 H ALA 77 -7.110 4.274 -4.979 619 HA ALA 77 HA ALA 77 -10.029 4.185 -4.776 620 1HB ALA 77 3HB ALA 77 -8.441 2.700 -3.464 621 2HB ALA 77 2HB ALA 77 -7.970 4.128 -2.549 622 3HB ALA 77 1HB ALA 77 -9.631 3.543 -2.471 623 H LYS 78 H LYS 78 -7.473 6.217 -3.280 624 HA LYS 78 HA LYS 78 -9.377 8.101 -2.219 625 1HB LYS 78 2HB LYS 78 -7.449 8.496 -1.093 626 2HB LYS 78 1HB LYS 78 -6.456 7.833 -2.385 627 1HG LYS 78 2HG LYS 78 -7.729 10.571 -2.591 628 2HG LYS 78 1HG LYS 78 -6.148 10.329 -1.849 629 1HD LYS 78 2HD LYS 78 -6.512 9.010 -4.472 630 2HD LYS 78 1HD LYS 78 -6.515 10.773 -4.515 631 1HE LYS 78 2HE LYS 78 -4.423 9.797 -2.761 632 2HE LYS 78 1HE LYS 78 -4.260 9.102 -4.373 633 1HZ LYS 78 1HZ LYS 78 -4.823 11.970 -4.108 634 2HZ LYS 78 3HZ LYS 78 -3.244 11.419 -3.827 635 3HZ LYS 78 2HZ LYS 78 -3.983 11.143 -5.331 636 H ALA 79 H ALA 79 -8.424 7.443 -5.369 637 HA ALA 79 HA ALA 79 -8.778 10.204 -6.376 638 1HB ALA 79 2HB ALA 79 -7.081 8.509 -7.319 639 2HB ALA 79 1HB ALA 79 -8.478 7.672 -8.008 640 3HB ALA 79 3HB ALA 79 -8.108 9.330 -8.493 641 H GLU 80 H GLU 80 -10.053 7.044 -7.305 642 HA GLU 80 HA GLU 80 -12.320 7.919 -8.677 643 1HB GLU 80 2HB GLU 80 -12.137 5.396 -7.014 644 2HB GLU 80 1HB GLU 80 -13.135 5.675 -8.436 645 1HG GLU 80 2HG GLU 80 -10.318 6.230 -8.949 646 2HG GLU 80 1HG GLU 80 -10.602 4.560 -8.458 647 H GLY 81 H GLY 81 -12.325 6.682 -5.279 648 1HA GLY 81 2HA GLY 81 -14.267 8.797 -4.591 649 2HA GLY 81 1HA GLY 81 -14.911 7.154 -4.545 650 H ALA 82 H ALA 82 -12.533 5.875 -3.571 651 HA ALA 82 HA ALA 82 -12.855 5.820 -0.856 652 1HB ALA 82 1HB ALA 82 -10.967 4.816 -2.605 653 2HB ALA 82 3HB ALA 82 -10.002 5.827 -1.526 654 3HB ALA 82 2HB ALA 82 -10.999 4.529 -0.867 655 H ASP 83 H ASP 83 -11.677 6.784 0.942 656 HA ASP 83 HA ASP 83 -10.834 9.600 0.380 657 1HB ASP 83 2HB ASP 83 -12.132 8.369 2.833 658 2HB ASP 83 1HB ASP 83 -11.465 10.002 2.798 659 H ILE 84 H ILE 84 -8.879 7.889 -0.063 660 HA ILE 84 HA ILE 84 -7.411 7.364 2.454 661 HB ILE 84 HB ILE 84 -6.926 6.579 -0.433 662 1HG1 ILE 84 2HG1 ILE 84 -7.177 4.599 1.742 663 2HG1 ILE 84 1HG1 ILE 84 -8.641 5.518 1.392 664 1HG2 ILE 84 1HG2 ILE 84 -4.801 6.994 0.910 665 2HG2 ILE 84 3HG2 ILE 84 -5.343 5.718 2.001 666 3HG2 ILE 84 2HG2 ILE 84 -4.994 5.347 0.310 667 1HD1 ILE 84 1HD1 ILE 84 -7.120 4.471 -0.937 668 2HD1 ILE 84 3HD1 ILE 84 -7.982 3.288 0.045 669 3HD1 ILE 84 2HD1 ILE 84 -8.862 4.618 -0.706 670 H THR 85 H THR 85 -5.189 8.085 2.680 671 HA THR 85 HA THR 85 -4.663 10.638 1.224 672 HB THR 85 HB THR 85 -3.135 10.018 3.691 673 HG1 THR 85 HG1 THR 85 -5.827 10.852 3.871 674 1HG2 THR 85 2HG2 THR 85 -4.571 12.415 2.532 675 2HG2 THR 85 1HG2 THR 85 -3.780 12.439 4.107 676 3HG2 THR 85 3HG2 THR 85 -2.831 12.156 2.649 677 H ILE 86 H ILE 86 -3.573 9.660 -0.538 678 HA ILE 86 HA ILE 86 -1.419 7.762 -0.048 679 HB ILE 86 HB ILE 86 -2.793 8.907 -2.401 680 1HG1 ILE 86 2HG1 ILE 86 -2.823 6.637 -3.093 681 2HG1 ILE 86 1HG1 ILE 86 -1.431 6.227 -2.094 682 1HG2 ILE 86 1HG2 ILE 86 0.162 8.449 -2.354 683 2HG2 ILE 86 3HG2 ILE 86 -0.734 7.875 -3.760 684 3HG2 ILE 86 2HG2 ILE 86 -0.782 9.582 -3.321 685 1HD1 ILE 86 2HD1 ILE 86 -3.562 7.295 -0.446 686 2HD1 ILE 86 1HD1 ILE 86 -4.150 5.946 -1.410 687 3HD1 ILE 86 3HD1 ILE 86 -2.763 5.725 -0.342 688 H ILE 87 H ILE 87 0.327 8.529 0.964 689 HA ILE 87 HA ILE 87 1.384 11.203 0.144 690 HB ILE 87 HB ILE 87 2.025 9.516 2.577 691 1HG1 ILE 87 2HG1 ILE 87 0.668 12.154 2.776 692 2HG1 ILE 87 1HG1 ILE 87 -0.302 10.824 2.140 693 1HG2 ILE 87 1HG2 ILE 87 3.802 11.134 1.650 694 2HG2 ILE 87 3HG2 ILE 87 2.696 12.422 2.124 695 3HG2 ILE 87 2HG2 ILE 87 3.346 11.326 3.343 696 1HD1 ILE 87 2HD1 ILE 87 1.338 10.459 4.640 697 2HD1 ILE 87 1HD1 ILE 87 -0.259 11.201 4.717 698 3HD1 ILE 87 3HD1 ILE 87 -0.079 9.556 4.108 699 H LEU 88 H LEU 88 3.562 11.400 -0.513 700 HA LEU 88 HA LEU 88 5.137 8.892 -0.774 701 1HB LEU 88 2HB LEU 88 4.259 10.705 -3.022 702 2HB LEU 88 1HB LEU 88 5.725 9.732 -3.156 703 HG LEU 88 HG LEU 88 3.395 8.241 -2.151 704 1HD1 LEU 88 2HD1 LEU 88 2.664 10.011 -4.034 705 2HD1 LEU 88 1HD1 LEU 88 3.316 8.754 -5.086 706 3HD1 LEU 88 3HD1 LEU 88 1.999 8.378 -3.975 707 1HD2 LEU 88 3HD2 LEU 88 5.832 7.855 -3.670 708 2HD2 LEU 88 2HD2 LEU 88 4.833 6.651 -2.856 709 3HD2 LEU 88 1HD2 LEU 88 4.463 7.130 -4.513 710 H SER 89 HN SER 89 5.031 12.431 -1.059 711 HA SER 89 HA SER 89 6.654 14.031 -0.495 712 1HB SER 89 2HB SER 89 8.360 11.854 0.687 713 2HB SER 89 1HB SER 89 8.153 13.521 1.229 714 HG SER 89 HG SER 89 6.870 11.372 2.056 No H/Q in entry = 714 Start of MODEL 19 1 1H LYS 1 3H LYS 1 -8.275 4.523 7.525 2 2H LYS 1 2H LYS 1 -9.265 3.846 8.728 3 3H LYS 1 1H LYS 1 -8.866 5.496 8.781 4 HA LYS 1 HA LYS 1 -7.490 4.510 10.376 5 1HB LYS 1 2HB LYS 1 -7.838 2.234 8.752 6 2HB LYS 1 1HB LYS 1 -6.106 2.563 8.738 7 1HG LYS 1 2HG LYS 1 -7.385 2.827 11.387 8 2HG LYS 1 1HG LYS 1 -7.385 1.190 10.728 9 1HD LYS 1 2HD LYS 1 -4.855 1.809 10.155 10 2HD LYS 1 1HD LYS 1 -5.075 2.918 11.509 11 1HE LYS 1 2HE LYS 1 -6.101 0.176 11.947 12 2HE LYS 1 1HE LYS 1 -4.348 0.311 11.803 13 1HZ LYS 1 2HZ LYS 1 -5.864 2.161 13.529 14 2HZ LYS 1 1HZ LYS 1 -5.420 0.622 14.097 15 3HZ LYS 1 3HZ LYS 1 -4.224 1.723 13.613 16 H LYS 2 H LYS 2 -4.854 4.042 10.003 17 HA LYS 2 HA LYS 2 -4.007 6.051 7.960 18 1HB LYS 2 2HB LYS 2 -3.774 7.270 9.953 19 2HB LYS 2 1HB LYS 2 -3.285 5.850 10.878 20 1HG LYS 2 2HG LYS 2 -1.096 5.984 10.180 21 2HG LYS 2 1HG LYS 2 -1.528 6.657 8.609 22 1HD LYS 2 2HD LYS 2 -2.325 8.707 10.131 23 2HD LYS 2 1HD LYS 2 -1.098 8.049 11.215 24 1HE LYS 2 2HE LYS 2 -0.125 8.112 8.483 25 2HE LYS 2 1HE LYS 2 -0.655 9.714 8.996 26 1HZ LYS 2 2HZ LYS 2 0.697 8.665 11.146 27 2HZ LYS 2 1HZ LYS 2 1.639 8.243 9.797 28 3HZ LYS 2 3HZ LYS 2 1.254 9.870 10.085 29 H ALA 3 H ALA 3 -3.142 4.615 6.478 30 HA ALA 3 HA ALA 3 -1.439 2.393 7.349 31 1HB ALA 3 2HB ALA 3 -2.741 3.248 4.886 32 2HB ALA 3 1HB ALA 3 -1.063 2.786 4.600 33 3HB ALA 3 3HB ALA 3 -2.177 1.642 5.348 34 H VAL 4 H VAL 4 0.831 2.361 7.161 35 HA VAL 4 HA VAL 4 2.124 4.876 6.238 36 HB VAL 4 HB VAL 4 2.704 3.451 8.853 37 1HG1 VAL 4 1HG1 VAL 4 4.357 5.084 7.173 38 2HG1 VAL 4 3HG1 VAL 4 3.976 5.990 8.638 39 3HG1 VAL 4 2HG1 VAL 4 4.739 4.405 8.755 40 1HG2 VAL 4 2HG2 VAL 4 0.659 4.881 8.838 41 2HG2 VAL 4 1HG2 VAL 4 1.921 5.531 9.883 42 3HG2 VAL 4 3HG2 VAL 4 1.643 6.239 8.292 43 H ILE 5 H ILE 5 3.666 4.395 4.812 44 HA ILE 5 HA ILE 5 4.736 1.633 4.687 45 HB ILE 5 HB ILE 5 5.263 3.880 2.738 46 1HG1 ILE 5 2HG1 ILE 5 2.730 3.323 3.345 47 2HG1 ILE 5 1HG1 ILE 5 3.217 3.582 1.682 48 1HG2 ILE 5 2HG2 ILE 5 5.763 0.994 2.887 49 2HG2 ILE 5 1HG2 ILE 5 5.015 1.492 1.369 50 3HG2 ILE 5 3HG2 ILE 5 6.535 2.223 1.884 51 1HD1 ILE 5 2HD1 ILE 5 3.528 0.800 2.578 52 2HD1 ILE 5 1HD1 ILE 5 1.862 1.376 2.594 53 3HD1 ILE 5 3HD1 ILE 5 2.800 1.435 1.101 54 H ASN 6 H ASN 6 6.797 1.234 5.395 55 HA ASN 6 HA ASN 6 8.515 3.621 5.921 56 1HB ASN 6 2HB ASN 6 8.936 1.058 7.406 57 2HB ASN 6 1HB ASN 6 9.223 2.716 7.931 58 1HD2 ASN 6 2HD2 ASN 6 6.240 2.585 9.763 59 2HD2 ASN 6 1HD2 ASN 6 7.902 2.926 9.732 60 H GLY 7 H GLY 7 9.919 3.621 4.206 61 1HA GLY 7 2HA GLY 7 10.867 1.161 2.989 62 2HA GLY 7 1HA GLY 7 11.444 2.791 2.616 63 H GLU 8 H GLU 8 11.596 2.641 5.878 64 HA GLU 8 HA GLU 8 14.481 2.077 5.799 65 1HB GLU 8 2HB GLU 8 13.876 4.046 7.037 66 2HB GLU 8 1HB GLU 8 12.653 3.162 7.951 67 1HG GLU 8 2HG GLU 8 14.226 2.078 9.273 68 2HG GLU 8 1HG GLU 8 15.494 2.212 8.054 69 H GLN 9 H GLN 9 11.601 0.448 6.509 70 HA GLN 9 HA GLN 9 13.115 -1.632 8.025 71 1HB GLN 9 2HB GLN 9 11.380 -0.635 9.432 72 2HB GLN 9 1HB GLN 9 10.173 -0.928 8.179 73 1HG GLN 9 2HG GLN 9 10.040 -3.167 8.640 74 2HG GLN 9 1HG GLN 9 11.751 -3.289 9.050 75 1HE2 GLN 9 1HE2 GLN 9 9.089 -1.253 10.405 76 2HE2 GLN 9 2HE2 GLN 9 9.335 -1.748 12.009 77 H ILE 10 H ILE 10 11.140 -0.891 5.314 78 HA ILE 10 HA ILE 10 10.391 -3.629 4.689 79 HB ILE 10 HB ILE 10 10.465 -1.131 2.974 80 1HG1 ILE 10 2HG1 ILE 10 8.867 -1.142 4.906 81 2HG1 ILE 10 1HG1 ILE 10 8.056 -1.094 3.342 82 1HG2 ILE 10 3HG2 ILE 10 9.892 -3.966 2.367 83 2HG2 ILE 10 2HG2 ILE 10 8.678 -2.821 1.793 84 3HG2 ILE 10 1HG2 ILE 10 10.358 -2.653 1.284 85 1HD1 ILE 10 1HD1 ILE 10 8.208 -3.769 3.671 86 2HD1 ILE 10 3HD1 ILE 10 8.151 -3.274 5.363 87 3HD1 ILE 10 2HD1 ILE 10 6.850 -2.815 4.265 88 H ARG 11 H ARG 11 12.151 -4.972 4.475 89 HA ARG 11 HA ARG 11 14.647 -4.189 3.240 90 1HB ARG 11 2HB ARG 11 13.914 -7.057 3.058 91 2HB ARG 11 1HB ARG 11 15.362 -6.308 3.735 92 1HG ARG 11 2HG ARG 11 13.872 -5.548 5.674 93 2HG ARG 11 1HG ARG 11 12.668 -6.672 5.039 94 1HD ARG 11 2HD ARG 11 13.728 -8.192 6.367 95 2HD ARG 11 1HD ARG 11 14.899 -8.251 5.049 96 HE ARG 11 HE ARG 11 16.014 -6.294 6.441 97 1HH1 ARG 11 2HH1 ARG 11 13.788 -7.743 8.369 98 2HH1 ARG 11 1HH1 ARG 11 14.901 -8.402 9.521 99 1HH2 ARG 11 1HH2 ARG 11 17.706 -7.713 7.604 100 2HH2 ARG 11 2HH2 ARG 11 17.120 -8.387 9.087 101 H SER 12 H SER 12 11.783 -5.920 2.135 102 HA SER 12 HA SER 12 12.361 -5.082 -0.647 103 1HB SER 12 2HB SER 12 13.301 -7.485 -0.042 104 2HB SER 12 1HB SER 12 11.611 -7.954 -0.206 105 HG SER 12 HG SER 12 11.866 -7.824 -2.278 106 H ILE 13 H ILE 13 10.354 -5.896 -2.045 107 HA ILE 13 HA ILE 13 8.027 -4.725 -0.940 108 HB ILE 13 HB ILE 13 8.526 -5.272 -3.400 109 1HG1 ILE 13 2HG1 ILE 13 6.004 -5.733 -3.799 110 2HG1 ILE 13 1HG1 ILE 13 5.869 -5.648 -2.040 111 1HG2 ILE 13 2HG2 ILE 13 8.868 -7.752 -2.815 112 2HG2 ILE 13 1HG2 ILE 13 7.109 -7.851 -2.732 113 3HG2 ILE 13 3HG2 ILE 13 7.897 -7.399 -4.245 114 1HD1 ILE 13 1HD1 ILE 13 7.351 -3.432 -2.488 115 2HD1 ILE 13 3HD1 ILE 13 6.442 -3.491 -3.997 116 3HD1 ILE 13 2HD1 ILE 13 5.587 -3.417 -2.457 117 H SER 14 H SER 14 9.419 -7.817 -0.375 118 HA SER 14 HA SER 14 7.102 -9.342 0.277 119 1HB SER 14 2HB SER 14 9.862 -9.735 0.402 120 2HB SER 14 1HB SER 14 9.348 -9.815 2.085 121 HG SER 14 HG SER 14 8.856 -11.521 -0.014 122 H ASP 15 H ASP 15 9.096 -7.137 2.245 123 HA ASP 15 HA ASP 15 7.428 -7.467 4.601 124 1HB ASP 15 2HB ASP 15 9.868 -6.039 3.855 125 2HB ASP 15 1HB ASP 15 8.823 -5.077 4.894 126 H LEU 16 H LEU 16 7.383 -5.571 1.754 127 HA LEU 16 HA LEU 16 5.811 -3.340 2.637 128 1HB LEU 16 2HB LEU 16 7.031 -3.571 0.423 129 2HB LEU 16 1HB LEU 16 5.739 -4.644 -0.095 130 HG LEU 16 HG LEU 16 4.335 -2.913 -0.513 131 1HD1 LEU 16 1HD1 LEU 16 5.331 -1.650 2.059 132 2HD1 LEU 16 3HD1 LEU 16 4.107 -0.923 1.017 133 3HD1 LEU 16 2HD1 LEU 16 3.790 -2.467 1.805 134 1HD2 LEU 16 3HD2 LEU 16 6.668 -2.164 -1.303 135 2HD2 LEU 16 2HD2 LEU 16 5.414 -0.928 -1.192 136 3HD2 LEU 16 1HD2 LEU 16 6.634 -1.066 0.076 137 H HIS 17 H HIS 17 4.896 -6.440 1.107 138 HA HIS 17 HA HIS 17 2.102 -6.097 1.147 139 1HB HIS 17 2HB HIS 17 3.615 -8.663 1.648 140 2HB HIS 17 1HB HIS 17 1.994 -8.516 0.964 141 HD1 HIS 17 HD1 HIS 17 3.304 -9.964 -0.996 142 HD2 HIS 17 HD2 HIS 17 4.299 -5.924 -0.672 143 HE1 HIS 17 HE1 HIS 17 4.438 -9.326 -3.166 144 H GLN 18 H GLN 18 4.346 -6.875 3.674 145 HA GLN 18 HA GLN 18 2.281 -7.721 5.556 146 1HB GLN 18 2HB GLN 18 5.110 -6.905 6.230 147 2HB GLN 18 1HB GLN 18 4.052 -7.984 7.141 148 1HG GLN 18 2HG GLN 18 4.040 -9.464 5.031 149 2HG GLN 18 1HG GLN 18 5.418 -8.500 4.498 150 1HE2 GLN 18 2HE2 GLN 18 7.490 -10.720 6.298 151 2HE2 GLN 18 1HE2 GLN 18 7.111 -10.027 4.797 152 H THR 19 H THR 19 3.981 -4.800 4.757 153 HA THR 19 HA THR 19 3.156 -3.334 7.109 154 HB THR 19 HB THR 19 4.180 -2.451 4.405 155 HG1 THR 19 HG1 THR 19 5.733 -3.358 5.699 156 1HG2 THR 19 1HG2 THR 19 2.978 -0.900 6.622 157 2HG2 THR 19 3HG2 THR 19 4.509 -0.280 6.002 158 3HG2 THR 19 2HG2 THR 19 3.137 -0.489 4.913 159 H LEU 20 H LEU 20 1.847 -3.779 3.911 160 HA LEU 20 HA LEU 20 -0.377 -1.911 4.369 161 1HB LEU 20 2HB LEU 20 -0.376 -4.029 2.232 162 2HB LEU 20 1HB LEU 20 -1.048 -2.393 2.171 163 HG LEU 20 HG LEU 20 1.892 -3.067 2.288 164 1HD1 LEU 20 1HD1 LEU 20 0.027 -2.951 0.089 165 2HD1 LEU 20 3HD1 LEU 20 1.247 -1.689 -0.080 166 3HD1 LEU 20 2HD1 LEU 20 1.739 -3.376 0.068 167 1HD2 LEU 20 3HD2 LEU 20 1.012 -0.868 3.315 168 2HD2 LEU 20 2HD2 LEU 20 2.291 -0.733 2.107 169 3HD2 LEU 20 1HD2 LEU 20 0.617 -0.405 1.658 170 H LYS 21 H LYS 21 0.279 -5.347 4.387 171 HA LYS 21 HA LYS 21 -2.441 -6.179 4.923 172 1HB LYS 21 2HB LYS 21 -0.869 -7.815 4.088 173 2HB LYS 21 1HB LYS 21 0.235 -7.510 5.432 174 1HG LYS 21 2HG LYS 21 -0.919 -8.878 6.821 175 2HG LYS 21 1HG LYS 21 -2.471 -8.211 6.311 176 1HD LYS 21 2HD LYS 21 -2.814 -9.856 4.785 177 2HD LYS 21 1HD LYS 21 -1.133 -9.831 4.248 178 1HE LYS 21 2HE LYS 21 -2.119 -11.110 6.815 179 2HE LYS 21 1HE LYS 21 -1.719 -11.984 5.337 180 1HZ LYS 21 2HZ LYS 21 0.527 -10.886 5.511 181 2HZ LYS 21 1HZ LYS 21 0.094 -10.435 7.091 182 3HZ LYS 21 3HZ LYS 21 0.188 -12.077 6.675 183 H LYS 22 H LYS 22 0.117 -4.799 6.794 184 HA LYS 22 HA LYS 22 -1.013 -5.637 9.379 185 1HB LYS 22 2HB LYS 22 1.320 -5.430 9.492 186 2HB LYS 22 1HB LYS 22 1.338 -3.981 8.489 187 1HG LYS 22 2HG LYS 22 0.449 -2.637 10.275 188 2HG LYS 22 1HG LYS 22 0.125 -4.063 11.263 189 1HD LYS 22 2HD LYS 22 2.735 -4.463 10.911 190 2HD LYS 22 1HD LYS 22 2.730 -2.715 10.676 191 1HE LYS 22 2HE LYS 22 2.990 -2.800 12.975 192 2HE LYS 22 1HE LYS 22 1.229 -2.773 12.871 193 1HZ LYS 22 3HZ LYS 22 2.671 -5.339 12.813 194 2HZ LYS 22 2HZ LYS 22 2.378 -4.565 14.297 195 3HZ LYS 22 1HZ LYS 22 1.078 -5.016 13.301 196 H GLU 23 H GLU 23 -0.754 -2.624 7.468 197 HA GLU 23 HA GLU 23 -2.244 -1.060 9.403 198 1HB GLU 23 2HB GLU 23 -1.955 -0.390 6.479 199 2HB GLU 23 1HB GLU 23 -2.127 0.720 7.838 200 1HG GLU 23 2HG GLU 23 0.088 0.613 8.379 201 2HG GLU 23 1HG GLU 23 0.211 -1.096 7.963 202 H LEU 24 H LEU 24 -3.032 -2.113 6.141 203 HA LEU 24 HA LEU 24 -5.832 -1.543 6.346 204 1HB LEU 24 2HB LEU 24 -4.646 -3.649 4.531 205 2HB LEU 24 1HB LEU 24 -6.053 -2.628 4.242 206 HG LEU 24 HG LEU 24 -3.355 -1.362 4.648 207 1HD1 LEU 24 3HD1 LEU 24 -4.343 -2.864 2.258 208 2HD1 LEU 24 2HD1 LEU 24 -3.385 -1.404 2.015 209 3HD1 LEU 24 1HD1 LEU 24 -2.713 -2.760 2.921 210 1HD2 LEU 24 1HD2 LEU 24 -5.894 -0.382 4.289 211 2HD2 LEU 24 3HD2 LEU 24 -4.412 0.503 3.938 212 3HD2 LEU 24 2HD2 LEU 24 -5.253 -0.356 2.646 213 H ALA 25 H ALA 25 -3.854 -4.269 7.269 214 HA ALA 25 HA ALA 25 -4.426 -6.129 8.595 215 1HB ALA 25 3HB ALA 25 -6.359 -4.214 9.214 216 2HB ALA 25 2HB ALA 25 -7.296 -5.643 8.775 217 3HB ALA 25 1HB ALA 25 -6.098 -5.737 10.065 218 H LEU 26 H LEU 26 -4.219 -6.567 5.948 219 HA LEU 26 HA LEU 26 -6.664 -7.708 4.826 220 1HB LEU 26 2HB LEU 26 -3.856 -8.186 3.806 221 2HB LEU 26 1HB LEU 26 -5.365 -8.154 2.891 222 HG LEU 26 HG LEU 26 -4.160 -5.755 4.295 223 1HD1 LEU 26 2HD1 LEU 26 -3.127 -6.846 2.083 224 2HD1 LEU 26 1HD1 LEU 26 -4.441 -5.942 1.333 225 3HD1 LEU 26 3HD1 LEU 26 -3.227 -5.100 2.296 226 1HD2 LEU 26 1HD2 LEU 26 -6.776 -6.342 3.165 227 2HD2 LEU 26 3HD2 LEU 26 -6.252 -4.928 4.078 228 3HD2 LEU 26 2HD2 LEU 26 -6.014 -4.987 2.332 229 HA PRO 27 HA PRO 27 -6.222 -11.805 6.305 230 1HB PRO 27 2HB PRO 27 -7.115 -13.251 4.146 231 2HB PRO 27 1HB PRO 27 -8.180 -12.307 5.207 232 1HG PRO 27 2HG PRO 27 -7.251 -11.684 2.443 233 2HG PRO 27 1HG PRO 27 -8.730 -11.169 3.272 234 1HD PRO 27 2HD PRO 27 -6.412 -9.601 2.879 235 2HD PRO 27 1HD PRO 27 -7.752 -9.221 3.983 236 H GLU 28 H GLU 28 -5.568 -14.161 5.120 237 HA GLU 28 HA GLU 28 -2.694 -13.876 4.676 238 1HB GLU 28 2HB GLU 28 -3.481 -15.745 6.004 239 2HB GLU 28 1HB GLU 28 -4.530 -16.287 4.692 240 1HG GLU 28 2HG GLU 28 -2.622 -16.794 3.290 241 2HG GLU 28 1HG GLU 28 -1.514 -16.077 4.463 242 H TYR 29 H TYR 29 -5.430 -15.147 2.741 243 HA TYR 29 HA TYR 29 -3.849 -15.676 0.416 244 1HB TYR 29 2HB TYR 29 -6.036 -15.699 -0.788 245 2HB TYR 29 1HB TYR 29 -6.047 -16.687 0.675 246 HD1 TYR 29 HD1 TYR 29 -6.731 -13.152 -0.401 247 HD2 TYR 29 HD2 TYR 29 -7.798 -16.416 2.180 248 HE1 TYR 29 HE1 TYR 29 -8.647 -11.839 0.466 249 HE2 TYR 29 HE2 TYR 29 -9.712 -15.099 3.051 250 HH TYR 29 HH TYR 29 -10.170 -12.404 3.203 251 H TYR 30 H TYR 30 -4.706 -12.748 1.817 252 HA TYR 30 HA TYR 30 -5.376 -10.914 -0.081 253 1HB TYR 30 2HB TYR 30 -4.815 -10.012 2.015 254 2HB TYR 30 1HB TYR 30 -3.250 -10.821 2.052 255 HD1 TYR 30 HD1 TYR 30 -5.001 -8.570 -0.402 256 HD2 TYR 30 HD2 TYR 30 -1.484 -9.318 1.951 257 HE1 TYR 30 HE1 TYR 30 -3.929 -6.547 -1.357 258 HE2 TYR 30 HE2 TYR 30 -0.411 -7.299 0.994 259 HH TYR 30 HH TYR 30 -0.560 -5.827 -0.825 260 H GLY 31 H GLY 31 -4.630 -10.301 -2.051 261 1HA GLY 31 2HA GLY 31 -2.093 -11.490 -3.018 262 2HA GLY 31 1HA GLY 31 -3.325 -10.723 -4.029 263 H GLU 32 H GLU 32 -0.318 -10.258 -3.552 264 HA GLU 32 HA GLU 32 -0.303 -7.499 -2.528 265 1HB GLU 32 2HB GLU 32 2.061 -7.654 -2.636 266 2HB GLU 32 1HB GLU 32 1.524 -9.264 -2.155 267 1HG GLU 32 2HG GLU 32 2.800 -9.991 -3.887 268 2HG GLU 32 1HG GLU 32 1.457 -9.450 -4.895 269 H ASN 33 H ASN 33 -1.739 -8.240 -5.081 270 HA ASN 33 HA ASN 33 -0.164 -6.547 -6.966 271 1HB ASN 33 2HB ASN 33 -2.013 -7.563 -8.592 272 2HB ASN 33 1HB ASN 33 -0.560 -8.476 -8.185 273 1HD2 ASN 33 2HD2 ASN 33 -2.620 -11.102 -7.055 274 2HD2 ASN 33 1HD2 ASN 33 -1.337 -10.616 -8.056 275 H LEU 34 H LEU 34 -2.023 -5.591 -8.631 276 HA LEU 34 HA LEU 34 -3.442 -3.674 -6.927 277 1HB LEU 34 2HB LEU 34 -4.317 -3.278 -9.576 278 2HB LEU 34 1HB LEU 34 -3.110 -2.340 -8.705 279 HG LEU 34 HG LEU 34 -2.474 -4.870 -10.248 280 1HD1 LEU 34 2HD1 LEU 34 -2.574 -1.979 -11.055 281 2HD1 LEU 34 1HD1 LEU 34 -1.369 -3.043 -11.779 282 3HD1 LEU 34 3HD1 LEU 34 -3.085 -3.404 -11.959 283 1HD2 LEU 34 2HD2 LEU 34 -1.027 -3.705 -8.280 284 2HD2 LEU 34 1HD2 LEU 34 -0.279 -4.493 -9.671 285 3HD2 LEU 34 3HD2 LEU 34 -0.480 -2.741 -9.653 286 H ASP 35 H ASP 35 -4.181 -6.717 -8.193 287 HA ASP 35 HA ASP 35 -7.030 -6.184 -8.602 288 1HB ASP 35 2HB ASP 35 -6.808 -8.908 -8.310 289 2HB ASP 35 1HB ASP 35 -6.767 -8.042 -9.841 290 H ALA 36 H ALA 36 -5.247 -8.271 -6.283 291 HA ALA 36 HA ALA 36 -7.560 -8.553 -4.585 292 1HB ALA 36 1HB ALA 36 -5.669 -10.199 -4.669 293 2HB ALA 36 3HB ALA 36 -4.661 -9.007 -3.847 294 3HB ALA 36 2HB ALA 36 -6.075 -9.679 -3.033 295 H LEU 37 H LEU 37 -4.716 -6.509 -4.511 296 HA LEU 37 HA LEU 37 -5.229 -5.300 -1.962 297 1HB LEU 37 2HB LEU 37 -3.066 -5.087 -3.139 298 2HB LEU 37 1HB LEU 37 -3.853 -4.110 -4.377 299 HG LEU 37 HG LEU 37 -4.593 -2.988 -1.884 300 1HD1 LEU 37 2HD1 LEU 37 -1.760 -3.946 -2.023 301 2HD1 LEU 37 1HD1 LEU 37 -2.073 -2.366 -1.305 302 3HD1 LEU 37 3HD1 LEU 37 -2.830 -3.808 -0.627 303 1HD2 LEU 37 1HD2 LEU 37 -3.885 -2.122 -4.347 304 2HD2 LEU 37 3HD2 LEU 37 -3.926 -1.063 -2.939 305 3HD2 LEU 37 2HD2 LEU 37 -2.399 -1.759 -3.466 306 H TRP 38 H TRP 38 -5.936 -4.140 -5.270 307 HA TRP 38 HA TRP 38 -7.453 -1.863 -4.480 308 1HB TRP 38 2HB TRP 38 -6.752 -2.183 -6.807 309 2HB TRP 38 1HB TRP 38 -7.658 -3.682 -6.882 310 HD1 TRP 38 HD1 TRP 38 -9.815 -3.545 -7.966 311 HE1 TRP 38 HE1 TRP 38 -11.589 -1.740 -8.477 312 HE3 TRP 38 HE3 TRP 38 -7.681 0.454 -5.635 313 HZ2 TRP 38 HZ2 TRP 38 -12.018 1.040 -7.974 314 HZ3 TRP 38 HZ3 TRP 38 -8.777 2.665 -5.686 315 HH2 TRP 38 HH2 TRP 38 -10.943 2.967 -6.843 316 H ASP 39 H ASP 39 -8.276 -5.214 -4.990 317 HA ASP 39 HA ASP 39 -11.092 -4.986 -4.593 318 1HB ASP 39 2HB ASP 39 -9.107 -7.140 -4.654 319 2HB ASP 39 1HB ASP 39 -10.424 -7.453 -3.518 320 H ALA 40 H ALA 40 -8.390 -5.063 -2.402 321 HA ALA 40 HA ALA 40 -10.081 -5.395 -0.020 322 1HB ALA 40 3HB ALA 40 -7.415 -5.848 -0.493 323 2HB ALA 40 2HB ALA 40 -7.370 -4.310 0.371 324 3HB ALA 40 1HB ALA 40 -8.140 -5.715 1.110 325 H LEU 41 H LEU 41 -7.762 -2.808 -0.842 326 HA LEU 41 HA LEU 41 -8.575 -0.785 0.782 327 1HB LEU 41 2HB LEU 41 -7.622 -0.818 -2.030 328 2HB LEU 41 1HB LEU 41 -8.304 0.696 -1.445 329 HG LEU 41 HG LEU 41 -6.339 -0.703 0.312 330 1HD1 LEU 41 1HD1 LEU 41 -5.479 -0.713 -2.102 331 2HD1 LEU 41 3HD1 LEU 41 -5.451 1.050 -1.991 332 3HD1 LEU 41 2HD1 LEU 41 -4.443 0.077 -0.911 333 1HD2 LEU 41 2HD2 LEU 41 -7.537 1.459 0.879 334 2HD2 LEU 41 1HD2 LEU 41 -5.774 1.542 0.954 335 3HD2 LEU 41 3HD2 LEU 41 -6.631 2.209 -0.434 336 H THR 42 H THR 42 -10.099 -1.553 -2.293 337 HA THR 42 HA THR 42 -12.261 0.358 -1.877 338 HB THR 42 HB THR 42 -13.068 -0.320 -3.984 339 HG1 THR 42 HG1 THR 42 -12.059 -2.441 -4.777 340 1HG2 THR 42 1HG2 THR 42 -10.196 -0.142 -3.624 341 2HG2 THR 42 3HG2 THR 42 -10.592 -1.163 -5.005 342 3HG2 THR 42 2HG2 THR 42 -11.196 0.492 -4.930 343 H GLY 43 H GLY 43 -11.856 -3.134 -1.367 344 1HA GLY 43 2HA GLY 43 -14.533 -3.082 -0.038 345 2HA GLY 43 1HA GLY 43 -14.099 -4.409 -1.117 346 H TRP 44 H TRP 44 -12.429 -2.719 1.612 347 HA TRP 44 HA TRP 44 -12.527 -5.004 3.339 348 1HB TRP 44 2HB TRP 44 -11.026 -6.043 1.708 349 2HB TRP 44 1HB TRP 44 -9.953 -4.644 1.780 350 HD1 TRP 44 HD1 TRP 44 -8.939 -4.104 4.326 351 HE1 TRP 44 HE1 TRP 44 -8.112 -5.785 6.097 352 HE3 TRP 44 HE3 TRP 44 -11.212 -8.354 2.637 353 HZ2 TRP 44 HZ2 TRP 44 -8.383 -8.571 6.716 354 HZ3 TRP 44 HZ3 TRP 44 -10.912 -10.503 3.833 355 HH2 TRP 44 HH2 TRP 44 -9.501 -10.616 5.869 356 H VAL 45 H VAL 45 -10.657 -2.237 2.259 357 HA VAL 45 HA VAL 45 -9.589 -1.618 4.887 358 HB VAL 45 HB VAL 45 -9.628 -0.350 2.173 359 1HG1 VAL 45 2HG1 VAL 45 -10.101 1.486 3.742 360 2HG1 VAL 45 1HG1 VAL 45 -8.678 1.039 4.683 361 3HG1 VAL 45 3HG1 VAL 45 -8.493 1.632 3.032 362 1HG2 VAL 45 2HG2 VAL 45 -7.535 -1.274 4.147 363 2HG2 VAL 45 1HG2 VAL 45 -7.863 -1.910 2.535 364 3HG2 VAL 45 3HG2 VAL 45 -7.124 -0.319 2.722 365 H GLU 46 H GLU 46 -10.071 0.629 5.840 366 HA GLU 46 HA GLU 46 -12.968 1.298 5.532 367 1HB GLU 46 2HB GLU 46 -11.431 1.488 8.134 368 2HB GLU 46 1HB GLU 46 -13.176 1.602 7.897 369 1HG GLU 46 2HG GLU 46 -13.003 -0.599 8.606 370 2HG GLU 46 1HG GLU 46 -12.859 -0.818 6.861 371 H TYR 47 H TYR 47 -12.914 3.219 4.484 372 HA TYR 47 HA TYR 47 -10.763 5.155 4.990 373 1HB TYR 47 2HB TYR 47 -13.204 5.329 3.197 374 2HB TYR 47 1HB TYR 47 -11.805 6.406 3.149 375 HD1 TYR 47 HD2 TYR 47 -9.465 4.860 3.285 376 HD2 TYR 47 HD1 TYR 47 -13.201 3.787 1.449 377 HE1 TYR 47 HE2 TYR 47 -8.281 3.252 1.810 378 HE2 TYR 47 HE1 TYR 47 -12.010 2.188 -0.029 379 HH TYR 47 HH TYR 47 -8.699 2.232 -0.466 380 HA PRO 48 HA PRO 48 -11.056 7.597 4.238 381 1HB PRO 48 2HB PRO 48 -9.974 9.540 5.854 382 2HB PRO 48 1HB PRO 48 -11.440 9.758 4.878 383 1HG PRO 48 2HG PRO 48 -11.187 9.303 7.825 384 2HG PRO 48 1HG PRO 48 -12.426 10.198 6.928 385 1HD PRO 48 2HD PRO 48 -12.761 7.619 7.959 386 2HD PRO 48 1HD PRO 48 -13.747 8.332 6.661 387 H LEU 49 H LEU 49 -8.873 7.183 3.961 388 HA LEU 49 HA LEU 49 -7.466 5.918 6.275 389 1HB LEU 49 2HB LEU 49 -7.950 4.167 4.764 390 2HB LEU 49 1HB LEU 49 -7.631 5.180 3.357 391 HG LEU 49 HG LEU 49 -5.191 5.277 4.232 392 1HD1 LEU 49 3HD1 LEU 49 -6.485 3.415 6.111 393 2HD1 LEU 49 2HD1 LEU 49 -5.009 2.782 5.383 394 3HD1 LEU 49 1HD1 LEU 49 -4.970 4.302 6.277 395 1HD2 LEU 49 2HD2 LEU 49 -6.666 3.275 2.724 396 2HD2 LEU 49 1HD2 LEU 49 -5.095 4.003 2.381 397 3HD2 LEU 49 3HD2 LEU 49 -5.207 2.606 3.454 398 H VAL 50 H VAL 50 -5.099 6.155 6.227 399 HA VAL 50 HA VAL 50 -4.190 8.525 4.639 400 HB VAL 50 HB VAL 50 -3.975 7.903 7.549 401 1HG1 VAL 50 3HG1 VAL 50 -1.710 9.065 5.917 402 2HG1 VAL 50 2HG1 VAL 50 -1.915 9.442 7.628 403 3HG1 VAL 50 1HG1 VAL 50 -1.640 7.776 7.119 404 1HG2 VAL 50 1HG2 VAL 50 -5.293 9.776 6.296 405 2HG2 VAL 50 3HG2 VAL 50 -4.420 10.193 7.770 406 3HG2 VAL 50 2HG2 VAL 50 -3.726 10.576 6.196 407 H LEU 51 H LEU 51 -3.054 7.413 3.022 408 HA LEU 51 HA LEU 51 -1.327 5.133 3.732 409 1HB LEU 51 2HB LEU 51 -2.583 5.179 1.586 410 2HB LEU 51 1HB LEU 51 -1.663 6.612 1.110 411 HG LEU 51 HG LEU 51 0.434 5.134 1.535 412 1HD1 LEU 51 3HD1 LEU 51 -1.661 3.278 2.090 413 2HD1 LEU 51 2HD1 LEU 51 -0.810 2.742 0.631 414 3HD1 LEU 51 1HD1 LEU 51 0.081 3.005 2.139 415 1HD2 LEU 51 3HD2 LEU 51 -0.344 5.907 -0.677 416 2HD2 LEU 51 2HD2 LEU 51 0.318 4.275 -0.747 417 3HD2 LEU 51 1HD2 LEU 51 -1.427 4.513 -0.758 418 H GLU 52 H GLU 52 -0.223 6.951 5.234 419 HA GLU 52 HA GLU 52 1.520 8.872 4.063 420 1HB GLU 52 2HB GLU 52 1.078 8.938 6.437 421 2HB GLU 52 1HB GLU 52 1.724 7.308 6.652 422 1HG GLU 52 2HG GLU 52 3.795 8.142 6.912 423 2HG GLU 52 1HG GLU 52 3.701 8.917 5.330 424 H TRP 53 H TRP 53 2.509 7.763 2.196 425 HA TRP 53 HA TRP 53 4.156 5.409 2.681 426 1HB TRP 53 2HB TRP 53 3.029 6.231 0.435 427 2HB TRP 53 1HB TRP 53 4.551 7.114 0.249 428 HD1 TRP 53 HD1 TRP 53 6.794 5.394 0.929 429 HE1 TRP 53 HE1 TRP 53 7.204 3.017 0.015 430 HE3 TRP 53 HE3 TRP 53 2.090 4.235 -0.633 431 HZ2 TRP 53 HZ2 TRP 53 5.713 0.905 -1.213 432 HZ3 TRP 53 HZ3 TRP 53 1.594 2.045 -1.664 433 HH2 TRP 53 HH2 TRP 53 3.405 0.368 -1.956 434 H ARG 54 H ARG 54 6.286 5.429 3.342 435 HA ARG 54 HA ARG 54 7.513 7.958 4.062 436 1HB ARG 54 2HB ARG 54 8.335 5.075 4.213 437 2HB ARG 54 1HB ARG 54 9.543 6.334 4.459 438 1HG ARG 54 2HG ARG 54 7.100 6.919 5.925 439 2HG ARG 54 1HG ARG 54 7.765 5.351 6.384 440 1HD ARG 54 2HD ARG 54 8.919 6.802 7.811 441 2HD ARG 54 1HD ARG 54 10.046 6.635 6.464 442 HE ARG 54 HE ARG 54 8.218 8.870 6.107 443 1HH1 ARG 54 1HH2 ARG 54 10.914 7.818 7.963 444 2HH1 ARG 54 2HH2 ARG 54 11.724 9.347 7.908 445 1HH2 ARG 54 2HH1 ARG 54 9.348 10.832 5.865 446 2HH2 ARG 54 1HH1 ARG 54 10.838 11.054 6.721 447 H GLN 55 H GLN 55 9.749 5.738 2.633 448 HA GLN 55 HA GLN 55 10.728 7.772 0.833 449 1HB GLN 55 2HB GLN 55 11.468 5.023 1.608 450 2HB GLN 55 1HB GLN 55 11.873 5.445 -0.056 451 1HG GLN 55 2HG GLN 55 12.529 7.333 2.195 452 2HG GLN 55 1HG GLN 55 13.605 5.988 1.813 453 1HE2 GLN 55 2HE2 GLN 55 14.239 7.324 -1.559 454 2HE2 GLN 55 1HE2 GLN 55 13.796 5.845 -0.854 455 H PHE 56 H PHE 56 9.414 4.526 0.125 456 HA PHE 56 HA PHE 56 7.898 3.855 -1.544 457 1HB PHE 56 2HB PHE 56 6.712 5.990 -1.432 458 2HB PHE 56 1HB PHE 56 7.955 6.762 -2.410 459 HD1 PHE 56 HD2 PHE 56 5.317 4.150 -2.444 460 HD2 PHE 56 HD1 PHE 56 8.026 6.528 -4.778 461 HE1 PHE 56 HE2 PHE 56 4.188 3.404 -4.512 462 HE2 PHE 56 HE1 PHE 56 6.896 5.785 -6.848 463 HZ PHE 56 HZ PHE 56 4.974 4.225 -6.721 464 H GLU 57 H GLU 57 10.420 6.143 -2.655 465 HA GLU 57 HA GLU 57 10.724 4.903 -5.229 466 1HB GLU 57 2HB GLU 57 12.066 6.984 -3.670 467 2HB GLU 57 1HB GLU 57 13.190 6.032 -4.640 468 1HG GLU 57 2HG GLU 57 10.875 6.557 -6.233 469 2HG GLU 57 1HG GLU 57 11.407 8.081 -5.521 470 H GLN 58 H GLN 58 12.744 4.662 -2.275 471 HA GLN 58 HA GLN 58 14.502 2.674 -3.271 472 1HB GLN 58 2HB GLN 58 14.823 2.085 -0.826 473 2HB GLN 58 1HB GLN 58 15.069 3.784 -1.224 474 1HG GLN 58 2HG GLN 58 13.634 4.152 0.506 475 2HG GLN 58 1HG GLN 58 12.392 3.763 -0.683 476 1HE2 GLN 58 1HE2 GLN 58 14.716 1.713 1.177 477 2HE2 GLN 58 2HE2 GLN 58 13.526 0.667 1.787 478 H SER 59 H SER 59 11.554 2.226 -1.281 479 HA SER 59 HA SER 59 11.603 -0.612 -1.314 480 1HB SER 59 2HB SER 59 10.122 0.535 0.210 481 2HB SER 59 1HB SER 59 9.289 1.335 -1.124 482 HG SER 59 HG SER 59 9.264 -1.387 -0.361 483 H LYS 60 H LYS 60 10.969 1.633 -3.804 484 HA LYS 60 HA LYS 60 9.276 -0.155 -5.403 485 1HB LYS 60 2HB LYS 60 9.198 2.392 -5.422 486 2HB LYS 60 1HB LYS 60 10.698 2.329 -6.352 487 1HG LYS 60 2HG LYS 60 9.243 0.539 -7.750 488 2HG LYS 60 1HG LYS 60 7.938 1.565 -7.154 489 1HD LYS 60 2HD LYS 60 9.978 3.323 -7.995 490 2HD LYS 60 1HD LYS 60 9.842 2.101 -9.259 491 1HE LYS 60 2HE LYS 60 7.638 2.642 -9.738 492 2HE LYS 60 1HE LYS 60 7.334 3.273 -8.121 493 1HZ LYS 60 1HZ LYS 60 9.329 4.849 -9.180 494 2HZ LYS 60 3HZ LYS 60 8.213 4.647 -10.441 495 3HZ LYS 60 2HZ LYS 60 7.702 5.280 -8.949 496 H GLN 61 H GLN 61 12.707 0.628 -5.190 497 HA GLN 61 HA GLN 61 13.343 -0.572 -7.771 498 1HB GLN 61 2HB GLN 61 14.670 1.077 -5.900 499 2HB GLN 61 1HB GLN 61 15.632 -0.394 -6.054 500 1HG GLN 61 2HG GLN 61 16.457 0.954 -7.794 501 2HG GLN 61 1HG GLN 61 15.284 -0.078 -8.615 502 1HE2 GLN 61 2HE2 GLN 61 14.755 3.878 -8.743 503 2HE2 GLN 61 1HE2 GLN 61 16.211 3.136 -8.284 504 H LEU 62 H LEU 62 14.341 -1.441 -4.517 505 HA LEU 62 HA LEU 62 15.528 -3.855 -4.894 506 1HB LEU 62 2HB LEU 62 13.931 -4.501 -2.724 507 2HB LEU 62 1HB LEU 62 15.494 -3.685 -2.651 508 HG LEU 62 HG LEU 62 14.400 -1.509 -2.745 509 1HD1 LEU 62 3HD1 LEU 62 12.180 -3.143 -3.655 510 2HD1 LEU 62 2HD1 LEU 62 11.690 -2.090 -2.339 511 3HD1 LEU 62 1HD1 LEU 62 12.403 -1.400 -3.799 512 1HD2 LEU 62 3HD2 LEU 62 14.645 -2.594 -0.535 513 2HD2 LEU 62 2HD2 LEU 62 13.205 -1.577 -0.601 514 3HD2 LEU 62 1HD2 LEU 62 13.053 -3.329 -0.730 515 H THR 63 H THR 63 12.157 -3.271 -5.467 516 HA THR 63 HA THR 63 11.745 -6.194 -5.872 517 HB THR 63 HB THR 63 10.026 -5.459 -4.473 518 HG1 THR 63 HG1 THR 63 8.174 -5.331 -5.826 519 1HG2 THR 63 2HG2 THR 63 10.287 -2.915 -6.015 520 2HG2 THR 63 1HG2 THR 63 8.749 -3.264 -5.225 521 3HG2 THR 63 3HG2 THR 63 10.229 -3.167 -4.271 522 H GLU 64 H GLU 64 9.611 -3.961 -7.467 523 HA GLU 64 HA GLU 64 10.888 -3.478 -9.900 524 1HB GLU 64 2HB GLU 64 9.768 -5.425 -11.224 525 2HB GLU 64 1HB GLU 64 11.268 -5.765 -10.358 526 1HG GLU 64 2HG GLU 64 10.138 -6.860 -8.592 527 2HG GLU 64 1HG GLU 64 8.580 -6.170 -9.047 528 H ASN 65 H ASN 65 9.174 -1.984 -8.628 529 HA ASN 65 HA ASN 65 7.290 -0.660 -9.217 530 1HB ASN 65 2HB ASN 65 6.247 -2.997 -10.808 531 2HB ASN 65 1HB ASN 65 5.818 -1.295 -10.966 532 1HD2 ASN 65 2HD2 ASN 65 9.026 -0.502 -12.563 533 2HD2 ASN 65 1HD2 ASN 65 8.031 0.111 -11.331 534 H GLY 66 H GLY 66 7.589 -3.304 -7.388 535 1HA GLY 66 2HA GLY 66 4.944 -4.197 -6.853 536 2HA GLY 66 1HA GLY 66 6.272 -4.240 -5.687 537 H ALA 67 H ALA 67 6.845 -1.644 -5.194 538 HA ALA 67 HA ALA 67 4.672 -0.792 -3.522 539 1HB ALA 67 1HB ALA 67 7.298 0.384 -4.362 540 2HB ALA 67 3HB ALA 67 6.117 1.426 -3.566 541 3HB ALA 67 2HB ALA 67 6.719 -0.015 -2.744 542 H GLU 68 H GLU 68 5.902 0.458 -6.633 543 HA GLU 68 HA GLU 68 4.100 2.611 -6.882 544 1HB GLU 68 2HB GLU 68 6.160 1.833 -8.359 545 2HB GLU 68 1HB GLU 68 4.892 1.065 -9.315 546 1HG GLU 68 2HG GLU 68 4.100 3.751 -8.593 547 2HG GLU 68 1HG GLU 68 5.671 3.775 -9.394 548 H SER 69 H SER 69 3.536 -0.784 -7.124 549 HA SER 69 HA SER 69 1.103 -0.471 -8.739 550 1HB SER 69 2HB SER 69 1.276 -2.712 -9.034 551 2HB SER 69 1HB SER 69 2.830 -2.590 -8.216 552 HG SER 69 HG SER 69 1.970 -3.693 -6.661 553 H VAL 70 H VAL 70 1.736 -1.605 -5.372 554 HA VAL 70 HA VAL 70 -0.938 -1.648 -4.542 555 HB VAL 70 HB VAL 70 1.553 -0.825 -3.007 556 1HG1 VAL 70 2HG1 VAL 70 -1.306 -0.644 -2.280 557 2HG1 VAL 70 1HG1 VAL 70 -0.313 -1.481 -1.096 558 3HG1 VAL 70 3HG1 VAL 70 0.084 0.177 -1.560 559 1HG2 VAL 70 1HG2 VAL 70 0.107 -3.347 -3.555 560 2HG2 VAL 70 3HG2 VAL 70 1.795 -3.096 -3.109 561 3HG2 VAL 70 2HG2 VAL 70 0.546 -3.111 -1.863 562 H LEU 71 H LEU 71 1.317 0.920 -5.110 563 HA LEU 71 HA LEU 71 -0.332 2.951 -3.947 564 1HB LEU 71 2HB LEU 71 2.213 3.037 -4.421 565 2HB LEU 71 1HB LEU 71 1.739 3.479 -6.062 566 HG LEU 71 HG LEU 71 0.590 5.428 -5.300 567 1HD1 LEU 71 3HD1 LEU 71 0.717 4.017 -2.686 568 2HD1 LEU 71 2HD1 LEU 71 0.804 5.782 -2.644 569 3HD1 LEU 71 1HD1 LEU 71 -0.589 4.982 -3.386 570 1HD2 LEU 71 2HD2 LEU 71 3.179 5.344 -5.272 571 2HD2 LEU 71 1HD2 LEU 71 2.389 6.703 -4.472 572 3HD2 LEU 71 3HD2 LEU 71 3.013 5.360 -3.516 573 H GLN 72 H GLN 72 0.178 1.771 -7.287 574 HA GLN 72 HA GLN 72 -1.421 3.678 -8.600 575 1HB GLN 72 2HB GLN 72 -0.936 0.749 -9.061 576 2HB GLN 72 1HB GLN 72 -2.142 1.589 -10.036 577 1HG GLN 72 2HG GLN 72 -0.495 3.184 -10.814 578 2HG GLN 72 1HG GLN 72 0.719 2.534 -9.710 579 1HE2 GLN 72 2HE2 GLN 72 -0.359 0.166 -12.907 580 2HE2 GLN 72 1HE2 GLN 72 -1.533 1.161 -12.191 581 H VAL 73 H VAL 73 -2.277 0.994 -6.572 582 HA VAL 73 HA VAL 73 -5.160 1.262 -7.044 583 HB VAL 73 HB VAL 73 -3.548 -0.366 -5.076 584 1HG1 VAL 73 2HG1 VAL 73 -6.018 0.377 -4.462 585 2HG1 VAL 73 1HG1 VAL 73 -6.445 -0.842 -5.656 586 3HG1 VAL 73 3HG1 VAL 73 -5.515 -1.293 -4.236 587 1HG2 VAL 73 3HG2 VAL 73 -4.455 -0.647 -7.826 588 2HG2 VAL 73 2HG2 VAL 73 -3.297 -1.633 -6.925 589 3HG2 VAL 73 1HG2 VAL 73 -5.028 -1.977 -6.816 590 H PHE 74 H PHE 74 -2.981 2.001 -4.299 591 HA PHE 74 HA PHE 74 -4.888 2.908 -2.491 592 1HB PHE 74 2HB PHE 74 -2.000 3.332 -2.971 593 2HB PHE 74 1HB PHE 74 -2.799 4.590 -2.045 594 HD1 PHE 74 HD2 PHE 74 -3.965 4.048 0.082 595 HD2 PHE 74 HD1 PHE 74 -1.706 1.120 -2.081 596 HE1 PHE 74 HE2 PHE 74 -3.968 2.565 2.056 597 HE2 PHE 74 HE1 PHE 74 -1.710 -0.358 -0.098 598 HZ PHE 74 HZ PHE 74 -2.850 0.377 1.967 599 H ARG 75 H ARG 75 -2.992 4.742 -4.841 600 HA ARG 75 HA ARG 75 -4.396 7.203 -4.587 601 1HB ARG 75 2HB ARG 75 -2.738 5.964 -6.784 602 2HB ARG 75 1HB ARG 75 -3.544 7.514 -7.027 603 1HG ARG 75 2HG ARG 75 -2.423 8.389 -4.987 604 2HG ARG 75 1HG ARG 75 -1.566 6.855 -4.826 605 1HD ARG 75 2HD ARG 75 -1.352 8.843 -7.099 606 2HD ARG 75 1HD ARG 75 -0.085 8.378 -5.963 607 HE ARG 75 HE ARG 75 -0.219 6.073 -7.026 608 1HH1 ARG 75 1HH2 ARG 75 -2.578 7.613 -8.643 609 2HH1 ARG 75 2HH2 ARG 75 -1.871 7.525 -10.221 610 1HH2 ARG 75 2HH1 ARG 75 1.233 6.504 -9.062 611 2HH2 ARG 75 1HH1 ARG 75 0.288 6.897 -10.459 612 H GLU 76 H GLU 76 -4.910 4.361 -6.758 613 HA GLU 76 HA GLU 76 -7.051 5.499 -8.265 614 1HB GLU 76 2HB GLU 76 -6.131 2.758 -7.592 615 2HB GLU 76 1HB GLU 76 -7.814 2.906 -8.103 616 1HG GLU 76 2HG GLU 76 -7.247 3.712 -10.208 617 2HG GLU 76 1HG GLU 76 -5.674 4.301 -9.672 618 H ALA 77 H ALA 77 -6.886 4.396 -5.004 619 HA ALA 77 HA ALA 77 -9.778 4.117 -4.651 620 1HB ALA 77 2HB ALA 77 -7.493 4.223 -2.645 621 2HB ALA 77 1HB ALA 77 -9.159 3.794 -2.259 622 3HB ALA 77 3HB ALA 77 -8.203 2.756 -3.316 623 H LYS 78 H LYS 78 -7.307 6.399 -3.377 624 HA LYS 78 HA LYS 78 -9.205 8.227 -2.305 625 1HB LYS 78 2HB LYS 78 -7.355 9.634 -1.968 626 2HB LYS 78 1HB LYS 78 -6.640 8.029 -1.934 627 1HG LYS 78 2HG LYS 78 -5.200 8.919 -3.463 628 2HG LYS 78 1HG LYS 78 -6.507 8.575 -4.597 629 1HD LYS 78 2HD LYS 78 -5.778 10.886 -4.891 630 2HD LYS 78 1HD LYS 78 -7.403 10.871 -4.203 631 1HE LYS 78 2HE LYS 78 -5.328 10.796 -2.145 632 2HE LYS 78 1HE LYS 78 -5.212 12.231 -3.162 633 1HZ LYS 78 3HZ LYS 78 -7.884 11.951 -2.695 634 2HZ LYS 78 2HZ LYS 78 -7.177 11.549 -1.202 635 3HZ LYS 78 1HZ LYS 78 -6.846 13.051 -1.925 636 H ALA 79 H ALA 79 -8.385 7.445 -5.510 637 HA ALA 79 HA ALA 79 -9.118 10.075 -6.642 638 1HB ALA 79 2HB ALA 79 -7.450 8.073 -7.514 639 2HB ALA 79 1HB ALA 79 -8.920 7.732 -8.433 640 3HB ALA 79 3HB ALA 79 -8.139 9.313 -8.562 641 H GLU 80 H GLU 80 -10.127 6.782 -7.438 642 HA GLU 80 HA GLU 80 -12.534 7.339 -8.668 643 1HB GLU 80 2HB GLU 80 -12.068 5.000 -6.801 644 2HB GLU 80 1HB GLU 80 -13.180 5.078 -8.166 645 1HG GLU 80 2HG GLU 80 -10.470 5.782 -8.955 646 2HG GLU 80 1HG GLU 80 -10.557 4.160 -8.265 647 H GLY 81 H GLY 81 -12.297 6.422 -5.175 648 1HA GLY 81 2HA GLY 81 -14.305 8.486 -4.557 649 2HA GLY 81 1HA GLY 81 -14.902 6.833 -4.398 650 H ALA 82 H ALA 82 -12.423 5.703 -3.442 651 HA ALA 82 HA ALA 82 -12.684 5.779 -0.717 652 1HB ALA 82 3HB ALA 82 -10.725 4.852 -2.511 653 2HB ALA 82 2HB ALA 82 -9.858 5.821 -1.319 654 3HB ALA 82 1HB ALA 82 -10.862 4.468 -0.796 655 H ASP 83 H ASP 83 -11.651 6.928 1.004 656 HA ASP 83 HA ASP 83 -10.842 9.714 0.274 657 1HB ASP 83 2HB ASP 83 -12.038 8.617 2.844 658 2HB ASP 83 1HB ASP 83 -11.514 10.285 2.615 659 H ILE 84 H ILE 84 -8.873 8.038 -0.089 660 HA ILE 84 HA ILE 84 -7.358 7.608 2.410 661 HB ILE 84 HB ILE 84 -6.837 6.857 -0.477 662 1HG1 ILE 84 2HG1 ILE 84 -7.196 4.790 1.582 663 2HG1 ILE 84 1HG1 ILE 84 -8.624 5.790 1.303 664 1HG2 ILE 84 2HG2 ILE 84 -4.761 7.203 0.977 665 2HG2 ILE 84 1HG2 ILE 84 -5.353 5.870 1.969 666 3HG2 ILE 84 3HG2 ILE 84 -4.945 5.598 0.274 667 1HD1 ILE 84 1HD1 ILE 84 -7.893 5.384 -1.247 668 2HD1 ILE 84 3HD1 ILE 84 -7.238 3.912 -0.535 669 3HD1 ILE 84 2HD1 ILE 84 -8.957 4.274 -0.388 670 H THR 85 H THR 85 -5.161 8.369 2.604 671 HA THR 85 HA THR 85 -4.647 10.884 1.080 672 HB THR 85 HB THR 85 -3.062 10.523 3.507 673 HG1 THR 85 HG1 THR 85 -5.867 10.770 3.801 674 1HG2 THR 85 3HG2 THR 85 -4.401 12.579 1.990 675 2HG2 THR 85 2HG2 THR 85 -4.803 12.735 3.699 676 3HG2 THR 85 1HG2 THR 85 -3.116 12.746 3.186 677 H ILE 86 H ILE 86 -3.514 9.849 -0.618 678 HA ILE 86 HA ILE 86 -1.398 7.944 -0.052 679 HB ILE 86 HB ILE 86 -2.679 9.107 -2.442 680 1HG1 ILE 86 2HG1 ILE 86 -2.733 6.857 -3.138 681 2HG1 ILE 86 1HG1 ILE 86 -1.317 6.430 -2.182 682 1HG2 ILE 86 3HG2 ILE 86 0.275 8.636 -2.316 683 2HG2 ILE 86 2HG2 ILE 86 -0.588 8.109 -3.761 684 3HG2 ILE 86 1HG2 ILE 86 -0.634 9.804 -3.276 685 1HD1 ILE 86 3HD1 ILE 86 -3.436 7.435 -0.465 686 2HD1 ILE 86 2HD1 ILE 86 -4.014 6.096 -1.450 687 3HD1 ILE 86 1HD1 ILE 86 -2.605 5.876 -0.409 688 H ILE 87 H ILE 87 0.254 8.748 1.111 689 HA ILE 87 HA ILE 87 1.402 11.387 0.329 690 HB ILE 87 HB ILE 87 2.370 9.758 2.661 691 1HG1 ILE 87 2HG1 ILE 87 -0.176 11.402 2.519 692 2HG1 ILE 87 1HG1 ILE 87 -0.043 9.689 2.918 693 1HG2 ILE 87 1HG2 ILE 87 3.306 12.034 1.773 694 2HG2 ILE 87 3HG2 ILE 87 1.873 12.723 2.536 695 3HG2 ILE 87 2HG2 ILE 87 3.050 11.837 3.506 696 1HD1 ILE 87 1HD1 ILE 87 1.699 10.954 4.702 697 2HD1 ILE 87 3HD1 ILE 87 0.287 12.008 4.644 698 3HD1 ILE 87 2HD1 ILE 87 0.102 10.310 5.081 699 H LEU 88 H LEU 88 3.583 11.574 -0.306 700 HA LEU 88 HA LEU 88 5.174 9.084 -0.556 701 1HB LEU 88 2HB LEU 88 4.202 10.794 -2.839 702 2HB LEU 88 1HB LEU 88 5.719 9.903 -2.973 703 HG LEU 88 HG LEU 88 3.364 8.398 -1.945 704 1HD1 LEU 88 2HD1 LEU 88 3.003 9.942 -4.206 705 2HD1 LEU 88 1HD1 LEU 88 3.543 8.403 -4.878 706 3HD1 LEU 88 3HD1 LEU 88 2.119 8.461 -3.839 707 1HD2 LEU 88 2HD2 LEU 88 5.705 7.482 -2.288 708 2HD2 LEU 88 1HD2 LEU 88 4.434 6.585 -3.120 709 3HD2 LEU 88 3HD2 LEU 88 5.460 7.703 -4.020 710 H SER 89 HN SER 89 6.279 10.381 1.194 711 HA SER 89 HA SER 89 8.469 11.921 0.010 712 1HB SER 89 2HB SER 89 7.230 13.859 0.232 713 2HB SER 89 1HB SER 89 6.262 13.211 1.558 714 HG SER 89 HG SER 89 7.671 14.690 2.424 No H/Q in entry = 714 Start of MODEL 20 1 1H LYS 1 2H LYS 1 -8.485 3.922 7.676 2 2H LYS 1 1H LYS 1 -9.344 3.286 8.997 3 3H LYS 1 3H LYS 1 -8.698 4.853 9.081 4 HA LYS 1 HA LYS 1 -7.322 3.364 10.352 5 1HB LYS 1 2HB LYS 1 -7.441 1.806 7.778 6 2HB LYS 1 1HB LYS 1 -6.063 1.619 8.862 7 1HG LYS 1 2HG LYS 1 -8.911 1.383 9.842 8 2HG LYS 1 1HG LYS 1 -8.018 -0.004 9.218 9 1HD LYS 1 2HD LYS 1 -6.798 -0.189 11.110 10 2HD LYS 1 1HD LYS 1 -6.450 1.540 11.138 11 1HE LYS 1 2HE LYS 1 -8.876 1.838 11.948 12 2HE LYS 1 1HE LYS 1 -8.859 0.101 12.255 13 1HZ LYS 1 2HZ LYS 1 -6.507 1.285 13.273 14 2HZ LYS 1 1HZ LYS 1 -7.862 2.111 13.880 15 3HZ LYS 1 3HZ LYS 1 -7.719 0.436 14.107 16 H LYS 2 H LYS 2 -4.864 3.340 10.092 17 HA LYS 2 HA LYS 2 -4.025 5.380 8.074 18 1HB LYS 2 2HB LYS 2 -3.918 6.625 10.046 19 2HB LYS 2 1HB LYS 2 -3.488 5.225 11.027 20 1HG LYS 2 2HG LYS 2 -1.243 5.197 10.084 21 2HG LYS 2 1HG LYS 2 -1.663 6.492 8.962 22 1HD LYS 2 2HD LYS 2 -2.359 7.398 11.561 23 2HD LYS 2 1HD LYS 2 -0.737 6.712 11.673 24 1HE LYS 2 2HE LYS 2 -0.368 8.073 9.426 25 2HE LYS 2 1HE LYS 2 -1.705 9.037 10.053 26 1HZ LYS 2 1HZ LYS 2 -0.139 8.732 12.221 27 2HZ LYS 2 3HZ LYS 2 1.016 8.839 10.983 28 3HZ LYS 2 2HZ LYS 2 -0.119 10.086 11.195 29 H ALA 3 H ALA 3 -2.906 4.142 6.629 30 HA ALA 3 HA ALA 3 -1.107 2.010 7.619 31 1HB ALA 3 1HB ALA 3 -2.702 2.273 5.333 32 2HB ALA 3 3HB ALA 3 -1.053 2.492 4.745 33 3HB ALA 3 2HB ALA 3 -1.491 1.024 5.621 34 H VAL 4 H VAL 4 1.134 2.156 7.428 35 HA VAL 4 HA VAL 4 2.191 4.692 6.266 36 HB VAL 4 HB VAL 4 3.012 3.412 8.891 37 1HG1 VAL 4 3HG1 VAL 4 4.344 5.304 7.068 38 2HG1 VAL 4 2HG1 VAL 4 4.232 5.873 8.734 39 3HG1 VAL 4 1HG1 VAL 4 5.022 4.337 8.378 40 1HG2 VAL 4 2HG2 VAL 4 1.067 5.424 8.175 41 2HG2 VAL 4 1HG2 VAL 4 1.441 4.770 9.770 42 3HG2 VAL 4 3HG2 VAL 4 2.344 6.152 9.150 43 H ILE 5 H ILE 5 3.492 4.140 4.639 44 HA ILE 5 HA ILE 5 4.784 1.500 4.534 45 HB ILE 5 HB ILE 5 5.180 3.777 2.590 46 1HG1 ILE 5 2HG1 ILE 5 2.686 3.231 3.232 47 2HG1 ILE 5 1HG1 ILE 5 3.126 3.388 1.546 48 1HG2 ILE 5 3HG2 ILE 5 5.779 0.923 2.693 49 2HG2 ILE 5 2HG2 ILE 5 4.910 1.375 1.226 50 3HG2 ILE 5 1HG2 ILE 5 6.430 2.173 1.631 51 1HD1 ILE 5 3HD1 ILE 5 3.526 0.668 2.495 52 2HD1 ILE 5 2HD1 ILE 5 1.863 1.206 2.718 53 3HD1 ILE 5 1HD1 ILE 5 2.594 1.251 1.113 54 H ASN 6 H ASN 6 6.620 1.319 5.723 55 HA ASN 6 HA ASN 6 8.384 3.707 5.893 56 1HB ASN 6 2HB ASN 6 8.826 1.301 7.608 57 2HB ASN 6 1HB ASN 6 9.066 3.005 7.991 58 1HD2 ASN 6 2HD2 ASN 6 6.065 2.950 9.801 59 2HD2 ASN 6 1HD2 ASN 6 7.719 3.328 9.759 60 H GLY 7 H GLY 7 9.606 3.463 4.013 61 1HA GLY 7 2HA GLY 7 10.604 0.917 3.122 62 2HA GLY 7 1HA GLY 7 11.165 2.495 2.551 63 H GLU 8 H GLU 8 11.439 2.869 5.732 64 HA GLU 8 HA GLU 8 14.297 2.380 5.708 65 1HB GLU 8 2HB GLU 8 13.427 4.321 6.905 66 2HB GLU 8 1HB GLU 8 12.437 3.276 7.924 67 1HG GLU 8 2HG GLU 8 14.221 2.589 9.192 68 2HG GLU 8 1HG GLU 8 15.349 2.675 7.839 69 H GLN 9 H GLN 9 11.529 0.598 6.563 70 HA GLN 9 HA GLN 9 13.226 -1.392 8.009 71 1HB GLN 9 2HB GLN 9 11.358 -0.265 9.346 72 2HB GLN 9 1HB GLN 9 10.230 -1.117 8.291 73 1HG GLN 9 2HG GLN 9 12.100 -3.057 9.109 74 2HG GLN 9 1HG GLN 9 11.714 -2.132 10.560 75 1HE2 GLN 9 2HE2 GLN 9 8.798 -4.087 10.893 76 2HE2 GLN 9 1HE2 GLN 9 10.241 -3.544 11.601 77 H ILE 10 H ILE 10 11.099 -0.772 5.391 78 HA ILE 10 HA ILE 10 10.338 -3.501 4.840 79 HB ILE 10 HB ILE 10 10.520 -1.071 3.034 80 1HG1 ILE 10 2HG1 ILE 10 8.847 -0.989 4.888 81 2HG1 ILE 10 1HG1 ILE 10 8.085 -1.030 3.297 82 1HG2 ILE 10 2HG2 ILE 10 10.009 -3.916 2.479 83 2HG2 ILE 10 1HG2 ILE 10 8.744 -2.838 1.883 84 3HG2 ILE 10 3HG2 ILE 10 10.414 -2.607 1.366 85 1HD1 ILE 10 3HD1 ILE 10 8.222 -3.670 3.749 86 2HD1 ILE 10 2HD1 ILE 10 8.155 -3.118 5.422 87 3HD1 ILE 10 1HD1 ILE 10 6.859 -2.697 4.302 88 H ARG 11 H ARG 11 12.130 -4.839 4.840 89 HA ARG 11 HA ARG 11 14.669 -4.246 3.679 90 1HB ARG 11 2HB ARG 11 13.810 -7.067 3.418 91 2HB ARG 11 1HB ARG 11 15.239 -6.394 4.208 92 1HG ARG 11 2HG ARG 11 13.676 -5.599 6.060 93 2HG ARG 11 1HG ARG 11 12.437 -6.612 5.312 94 1HD ARG 11 2HD ARG 11 13.520 -8.586 5.862 95 2HD ARG 11 1HD ARG 11 15.114 -7.831 5.871 96 HE ARG 11 HE ARG 11 14.108 -6.644 8.026 97 1HH1 ARG 11 2HH1 ARG 11 11.864 -8.011 8.803 98 2HH1 ARG 11 1HH1 ARG 11 12.392 -9.482 9.549 99 1HH2 ARG 11 1HH2 ARG 11 15.574 -9.349 8.175 100 2HH2 ARG 11 2HH2 ARG 11 14.492 -10.239 9.193 101 H SER 12 H SER 12 11.813 -5.869 2.349 102 HA SER 12 HA SER 12 12.680 -5.027 -0.361 103 1HB SER 12 2HB SER 12 12.466 -7.233 -1.302 104 2HB SER 12 1HB SER 12 13.541 -7.370 0.086 105 HG SER 12 HG SER 12 11.919 -8.266 1.254 106 H ILE 13 H ILE 13 10.854 -5.486 -1.965 107 HA ILE 13 HA ILE 13 8.471 -4.245 -1.236 108 HB ILE 13 HB ILE 13 9.137 -4.742 -3.557 109 1HG1 ILE 13 2HG1 ILE 13 6.667 -4.399 -2.778 110 2HG1 ILE 13 1HG1 ILE 13 6.959 -4.995 -4.406 111 1HG2 ILE 13 2HG2 ILE 13 8.563 -7.568 -2.678 112 2HG2 ILE 13 1HG2 ILE 13 8.591 -7.102 -4.379 113 3HG2 ILE 13 3HG2 ILE 13 10.042 -6.925 -3.392 114 1HD1 ILE 13 2HD1 ILE 13 6.768 -7.360 -3.322 115 2HD1 ILE 13 1HD1 ILE 13 5.996 -6.502 -1.995 116 3HD1 ILE 13 3HD1 ILE 13 5.300 -6.437 -3.607 117 H SER 14 H SER 14 9.371 -7.633 -0.840 118 HA SER 14 HA SER 14 6.879 -8.788 -0.271 119 1HB SER 14 2HB SER 14 9.676 -9.367 0.386 120 2HB SER 14 1HB SER 14 8.547 -9.957 1.601 121 HG SER 14 HG SER 14 7.656 -11.268 0.154 122 H ASP 15 H ASP 15 9.048 -7.091 2.026 123 HA ASP 15 HA ASP 15 7.265 -7.372 4.256 124 1HB ASP 15 2HB ASP 15 9.808 -6.076 3.665 125 2HB ASP 15 1HB ASP 15 8.811 -5.123 4.757 126 H LEU 16 H LEU 16 7.369 -5.254 1.580 127 HA LEU 16 HA LEU 16 6.009 -2.972 2.655 128 1HB LEU 16 2HB LEU 16 7.270 -2.982 0.516 129 2HB LEU 16 1HB LEU 16 6.067 -4.062 -0.179 130 HG LEU 16 HG LEU 16 4.773 -2.312 -0.747 131 1HD1 LEU 16 1HD1 LEU 16 5.005 -1.530 2.161 132 2HD1 LEU 16 3HD1 LEU 16 4.163 -0.511 0.993 133 3HD1 LEU 16 2HD1 LEU 16 3.599 -2.152 1.297 134 1HD2 LEU 16 1HD2 LEU 16 7.316 -1.115 0.062 135 2HD2 LEU 16 3HD2 LEU 16 6.352 -0.843 -1.390 136 3HD2 LEU 16 2HD2 LEU 16 5.969 0.024 0.097 137 H HIS 17 H HIS 17 4.760 -5.475 0.478 138 HA HIS 17 HA HIS 17 2.050 -4.791 0.684 139 1HB HIS 17 2HB HIS 17 3.374 -7.452 0.188 140 2HB HIS 17 1HB HIS 17 1.637 -7.182 0.013 141 HD1 HIS 17 HD1 HIS 17 1.007 -6.558 -2.333 142 HD2 HIS 17 HD2 HIS 17 4.823 -5.223 -1.365 143 HE1 HIS 17 HE1 HIS 17 1.914 -5.405 -4.402 144 H GLN 18 H GLN 18 3.844 -7.133 2.583 145 HA GLN 18 HA GLN 18 1.665 -7.919 4.244 146 1HB GLN 18 2HB GLN 18 3.503 -8.459 5.946 147 2HB GLN 18 1HB GLN 18 3.633 -9.259 4.378 148 1HG GLN 18 2HG GLN 18 5.733 -8.423 4.327 149 2HG GLN 18 1HG GLN 18 4.959 -6.885 3.937 150 1HE2 GLN 18 2HE2 GLN 18 6.886 -7.265 7.443 151 2HE2 GLN 18 1HE2 GLN 18 6.990 -8.423 6.205 152 H THR 19 H THR 19 3.911 -5.240 4.429 153 HA THR 19 HA THR 19 3.161 -4.254 7.001 154 HB THR 19 HB THR 19 4.328 -2.976 4.535 155 HG1 THR 19 HG1 THR 19 5.940 -2.550 6.297 156 1HG2 THR 19 3HG2 THR 19 2.891 -1.606 6.670 157 2HG2 THR 19 2HG2 THR 19 4.575 -1.093 6.581 158 3HG2 THR 19 1HG2 THR 19 3.538 -0.958 5.161 159 H LEU 20 H LEU 20 1.771 -3.934 3.840 160 HA LEU 20 HA LEU 20 -0.269 -1.986 4.647 161 1HB LEU 20 2HB LEU 20 -0.681 -3.749 2.265 162 2HB LEU 20 1HB LEU 20 -0.997 -2.021 2.444 163 HG LEU 20 HG LEU 20 1.723 -3.299 2.255 164 1HD1 LEU 20 1HD1 LEU 20 -0.009 -2.850 0.198 165 2HD1 LEU 20 3HD1 LEU 20 0.885 -1.331 0.251 166 3HD1 LEU 20 2HD1 LEU 20 1.748 -2.853 0.041 167 1HD2 LEU 20 1HD2 LEU 20 1.183 -1.055 3.607 168 2HD2 LEU 20 3HD2 LEU 20 2.649 -1.216 2.640 169 3HD2 LEU 20 2HD2 LEU 20 1.245 -0.374 1.982 170 H LYS 21 H LYS 21 0.153 -5.402 4.529 171 HA LYS 21 HA LYS 21 -2.651 -6.107 4.889 172 1HB LYS 21 2HB LYS 21 -1.172 -7.748 3.903 173 2HB LYS 21 1HB LYS 21 -0.064 -7.643 5.273 174 1HG LYS 21 2HG LYS 21 -1.333 -9.029 6.550 175 2HG LYS 21 1HG LYS 21 -2.839 -8.276 6.025 176 1HD LYS 21 2HD LYS 21 -3.134 -9.749 4.303 177 2HD LYS 21 1HD LYS 21 -1.406 -9.847 3.960 178 1HE LYS 21 2HE LYS 21 -2.575 -11.944 4.956 179 2HE LYS 21 1HE LYS 21 -1.034 -11.441 5.651 180 1HZ LYS 21 3HZ LYS 21 -3.547 -10.382 6.749 181 2HZ LYS 21 2HZ LYS 21 -3.027 -11.937 7.194 182 3HZ LYS 21 1HZ LYS 21 -2.046 -10.586 7.511 183 H LYS 22 H LYS 22 -0.043 -5.071 6.878 184 HA LYS 22 HA LYS 22 -1.276 -6.063 9.368 185 1HB LYS 22 2HB LYS 22 1.032 -6.164 9.601 186 2HB LYS 22 1HB LYS 22 1.301 -4.735 8.608 187 1HG LYS 22 2HG LYS 22 0.413 -3.313 10.433 188 2HG LYS 22 1HG LYS 22 0.199 -4.750 11.435 189 1HD LYS 22 2HD LYS 22 2.411 -4.883 11.925 190 2HD LYS 22 1HD LYS 22 2.890 -4.507 10.269 191 1HE LYS 22 2HE LYS 22 2.931 -2.231 10.648 192 2HE LYS 22 1HE LYS 22 1.682 -2.311 11.893 193 1HZ LYS 22 2HZ LYS 22 3.393 -3.521 13.271 194 2HZ LYS 22 1HZ LYS 22 4.545 -3.018 12.130 195 3HZ LYS 22 3HZ LYS 22 3.673 -1.865 13.017 196 H GLU 23 H GLU 23 -0.754 -2.994 7.639 197 HA GLU 23 HA GLU 23 -1.957 -1.400 9.750 198 1HB GLU 23 2HB GLU 23 -1.373 -0.784 6.847 199 2HB GLU 23 1HB GLU 23 -1.962 0.403 8.011 200 1HG GLU 23 2HG GLU 23 0.526 -1.224 8.538 201 2HG GLU 23 1HG GLU 23 0.587 0.294 7.642 202 H LEU 24 H LEU 24 -3.006 -2.407 6.546 203 HA LEU 24 HA LEU 24 -5.735 -1.495 6.959 204 1HB LEU 24 2HB LEU 24 -4.821 -3.468 4.863 205 2HB LEU 24 1HB LEU 24 -6.147 -2.310 4.768 206 HG LEU 24 HG LEU 24 -3.314 -1.362 5.157 207 1HD1 LEU 24 1HD1 LEU 24 -4.308 -2.773 2.877 208 2HD1 LEU 24 3HD1 LEU 24 -4.069 -1.083 2.438 209 3HD1 LEU 24 2HD1 LEU 24 -2.731 -2.019 3.107 210 1HD2 LEU 24 2HD2 LEU 24 -5.840 -0.144 5.028 211 2HD2 LEU 24 1HD2 LEU 24 -4.271 0.657 4.984 212 3HD2 LEU 24 3HD2 LEU 24 -5.074 0.208 3.478 213 H ALA 25 H ALA 25 -3.960 -4.471 7.447 214 HA ALA 25 HA ALA 25 -4.628 -6.384 8.658 215 1HB ALA 25 3HB ALA 25 -6.493 -4.423 9.437 216 2HB ALA 25 2HB ALA 25 -7.455 -5.821 8.957 217 3HB ALA 25 1HB ALA 25 -6.219 -5.986 10.205 218 H LEU 26 H LEU 26 -4.478 -6.600 5.978 219 HA LEU 26 HA LEU 26 -6.956 -7.410 4.715 220 1HB LEU 26 2HB LEU 26 -4.144 -8.205 3.893 221 2HB LEU 26 1HB LEU 26 -5.569 -8.084 2.866 222 HG LEU 26 HG LEU 26 -4.401 -5.724 4.352 223 1HD1 LEU 26 2HD1 LEU 26 -3.122 -6.968 2.317 224 2HD1 LEU 26 1HD1 LEU 26 -4.212 -5.930 1.395 225 3HD1 LEU 26 3HD1 LEU 26 -3.082 -5.220 2.550 226 1HD2 LEU 26 1HD2 LEU 26 -6.901 -6.140 3.186 227 2HD2 LEU 26 3HD2 LEU 26 -6.177 -4.572 3.553 228 3HD2 LEU 26 2HD2 LEU 26 -5.995 -5.273 1.946 229 HA PRO 27 HA PRO 27 -7.271 -11.563 6.043 230 1HB PRO 27 2HB PRO 27 -8.023 -12.859 3.735 231 2HB PRO 27 1HB PRO 27 -9.099 -11.808 4.677 232 1HG PRO 27 2HG PRO 27 -7.719 -11.250 2.090 233 2HG PRO 27 1HG PRO 27 -9.236 -10.584 2.719 234 1HD PRO 27 2HD PRO 27 -6.747 -9.283 2.702 235 2HD PRO 27 1HD PRO 27 -8.160 -8.789 3.658 236 H GLU 28 H GLU 28 -6.696 -13.975 5.099 237 HA GLU 28 HA GLU 28 -3.782 -13.983 4.943 238 1HB GLU 28 2HB GLU 28 -4.893 -15.660 6.304 239 2HB GLU 28 1HB GLU 28 -5.818 -16.226 4.910 240 1HG GLU 28 2HG GLU 28 -3.773 -16.943 3.791 241 2HG GLU 28 1HG GLU 28 -2.793 -16.285 5.102 242 H TYR 29 H TYR 29 -6.449 -14.846 2.725 243 HA TYR 29 HA TYR 29 -4.675 -15.883 0.708 244 1HB TYR 29 2HB TYR 29 -6.741 -15.376 -0.814 245 2HB TYR 29 1HB TYR 29 -6.854 -16.635 0.417 246 HD1 TYR 29 HD1 TYR 29 -7.389 -12.941 0.009 247 HD2 TYR 29 HD2 TYR 29 -8.637 -16.588 1.907 248 HE1 TYR 29 HE1 TYR 29 -9.317 -11.757 1.028 249 HE2 TYR 29 HE2 TYR 29 -10.556 -15.400 2.933 250 HH TYR 29 HH TYR 29 -11.183 -11.968 2.219 251 H TYR 30 H TYR 30 -4.961 -12.764 1.805 252 HA TYR 30 HA TYR 30 -5.106 -10.997 -0.292 253 1HB TYR 30 2HB TYR 30 -4.443 -10.366 2.015 254 2HB TYR 30 1HB TYR 30 -2.853 -11.075 1.741 255 HD1 TYR 30 HD1 TYR 30 -4.848 -9.197 -0.766 256 HD2 TYR 30 HD2 TYR 30 -1.501 -9.115 1.924 257 HE1 TYR 30 HE1 TYR 30 -4.084 -7.063 -1.775 258 HE2 TYR 30 HE2 TYR 30 -0.736 -6.988 0.910 259 HH TYR 30 HH TYR 30 -1.308 -5.296 -0.460 260 H GLY 31 H GLY 31 -4.211 -10.980 -2.304 261 1HA GLY 31 2HA GLY 31 -1.929 -12.757 -2.867 262 2HA GLY 31 1HA GLY 31 -2.877 -11.879 -4.071 263 H GLU 32 H GLU 32 -1.745 -10.090 -1.354 264 HA GLU 32 HA GLU 32 -0.427 -8.123 -1.420 265 1HB GLU 32 2HB GLU 32 1.835 -8.716 -1.229 266 2HB GLU 32 1HB GLU 32 0.992 -10.215 -0.832 267 1HG GLU 32 2HG GLU 32 1.344 -10.177 -3.659 268 2HG GLU 32 1HG GLU 32 2.888 -9.742 -2.932 269 H ASN 33 H ASN 33 -1.902 -8.083 -3.753 270 HA ASN 33 HA ASN 33 0.090 -6.966 -5.649 271 1HB ASN 33 2HB ASN 33 -2.122 -8.862 -6.319 272 2HB ASN 33 1HB ASN 33 -1.292 -7.902 -7.532 273 1HD2 ASN 33 2HD2 ASN 33 0.343 -11.349 -6.602 274 2HD2 ASN 33 1HD2 ASN 33 -1.309 -10.962 -6.524 275 H LEU 34 H LEU 34 -1.402 -5.868 -7.532 276 HA LEU 34 HA LEU 34 -2.902 -3.812 -6.103 277 1HB LEU 34 2HB LEU 34 -3.431 -3.104 -8.570 278 2HB LEU 34 1HB LEU 34 -1.783 -2.931 -7.966 279 HG LEU 34 HG LEU 34 -2.441 -5.566 -9.152 280 1HD1 LEU 34 2HD1 LEU 34 -3.510 -3.607 -10.572 281 2HD1 LEU 34 1HD1 LEU 34 -1.839 -3.327 -11.057 282 3HD1 LEU 34 3HD1 LEU 34 -2.598 -4.886 -11.373 283 1HD2 LEU 34 3HD2 LEU 34 -0.170 -4.067 -8.425 284 2HD2 LEU 34 2HD2 LEU 34 -0.187 -5.623 -9.256 285 3HD2 LEU 34 1HD2 LEU 34 -0.142 -4.126 -10.188 286 H ASP 35 H ASP 35 -3.644 -6.854 -7.431 287 HA ASP 35 HA ASP 35 -6.431 -6.235 -8.073 288 1HB ASP 35 2HB ASP 35 -6.318 -8.967 -7.757 289 2HB ASP 35 1HB ASP 35 -6.103 -8.115 -9.281 290 H ALA 36 H ALA 36 -4.756 -8.102 -5.512 291 HA ALA 36 HA ALA 36 -7.213 -8.426 -3.997 292 1HB ALA 36 3HB ALA 36 -4.996 -9.861 -3.959 293 2HB ALA 36 2HB ALA 36 -4.508 -8.687 -2.737 294 3HB ALA 36 1HB ALA 36 -5.949 -9.672 -2.486 295 H LEU 37 H LEU 37 -4.520 -6.220 -3.990 296 HA LEU 37 HA LEU 37 -5.191 -4.868 -1.523 297 1HB LEU 37 2HB LEU 37 -2.961 -4.677 -2.611 298 2HB LEU 37 1HB LEU 37 -3.715 -3.804 -3.944 299 HG LEU 37 HG LEU 37 -4.618 -2.529 -1.606 300 1HD1 LEU 37 1HD1 LEU 37 -1.713 -3.330 -1.487 301 2HD1 LEU 37 3HD1 LEU 37 -2.281 -1.849 -0.717 302 3HD1 LEU 37 2HD1 LEU 37 -2.927 -3.411 -0.211 303 1HD2 LEU 37 1HD2 LEU 37 -2.791 -1.938 -3.891 304 2HD2 LEU 37 3HD2 LEU 37 -4.280 -1.132 -3.404 305 3HD2 LEU 37 2HD2 LEU 37 -2.781 -0.810 -2.531 306 H TRP 38 H TRP 38 -5.691 -4.032 -4.947 307 HA TRP 38 HA TRP 38 -7.371 -1.781 -4.521 308 1HB TRP 38 2HB TRP 38 -6.423 -2.363 -6.722 309 2HB TRP 38 1HB TRP 38 -7.338 -3.858 -6.722 310 HD1 TRP 38 HD1 TRP 38 -9.280 -3.779 -8.199 311 HE1 TRP 38 HE1 TRP 38 -10.998 -2.034 -8.999 312 HE3 TRP 38 HE3 TRP 38 -7.615 0.349 -5.671 313 HZ2 TRP 38 HZ2 TRP 38 -11.573 0.734 -8.639 314 HZ3 TRP 38 HZ3 TRP 38 -8.750 2.523 -5.948 315 HH2 TRP 38 HH2 TRP 38 -10.734 2.721 -7.418 316 H ASP 39 H ASP 39 -8.004 -5.212 -4.716 317 HA ASP 39 HA ASP 39 -10.860 -5.065 -4.503 318 1HB ASP 39 2HB ASP 39 -8.807 -7.150 -4.305 319 2HB ASP 39 1HB ASP 39 -10.184 -7.424 -3.237 320 H ALA 40 H ALA 40 -8.272 -4.875 -2.199 321 HA ALA 40 HA ALA 40 -10.041 -5.163 0.126 322 1HB ALA 40 2HB ALA 40 -7.264 -5.334 -0.277 323 2HB ALA 40 1HB ALA 40 -7.497 -3.891 0.712 324 3HB ALA 40 3HB ALA 40 -8.117 -5.446 1.265 325 H LEU 41 H LEU 41 -7.816 -2.509 -0.699 326 HA LEU 41 HA LEU 41 -8.891 -0.440 0.722 327 1HB LEU 41 2HB LEU 41 -7.835 -0.465 -2.101 328 2HB LEU 41 1HB LEU 41 -8.326 1.038 -1.323 329 HG LEU 41 HG LEU 41 -6.468 -0.817 0.122 330 1HD1 LEU 41 2HD1 LEU 41 -5.669 1.170 -2.035 331 2HD1 LEU 41 1HD1 LEU 41 -4.543 0.386 -0.920 332 3HD1 LEU 41 3HD1 LEU 41 -5.443 -0.579 -2.095 333 1HD2 LEU 41 3HD2 LEU 41 -7.630 1.554 0.787 334 2HD2 LEU 41 2HD2 LEU 41 -6.105 0.978 1.462 335 3HD2 LEU 41 1HD2 LEU 41 -6.099 2.113 0.110 336 H THR 42 H THR 42 -10.004 -1.406 -2.474 337 HA THR 42 HA THR 42 -12.402 0.274 -2.243 338 HB THR 42 HB THR 42 -12.777 -0.205 -4.494 339 HG1 THR 42 HG1 THR 42 -12.275 -2.135 -5.415 340 1HG2 THR 42 1HG2 THR 42 -10.114 0.264 -3.707 341 2HG2 THR 42 3HG2 THR 42 -10.026 -0.960 -4.971 342 3HG2 THR 42 2HG2 THR 42 -10.825 0.578 -5.288 343 H GLY 43 H GLY 43 -12.421 -1.548 -0.139 344 1HA GLY 43 2HA GLY 43 -14.833 -2.586 0.167 345 2HA GLY 43 1HA GLY 43 -14.221 -3.746 -1.012 346 H TRP 44 H TRP 44 -12.391 -2.262 1.684 347 HA TRP 44 HA TRP 44 -12.610 -4.620 3.364 348 1HB TRP 44 2HB TRP 44 -11.106 -5.565 1.663 349 2HB TRP 44 1HB TRP 44 -10.014 -4.193 1.861 350 HD1 TRP 44 HD1 TRP 44 -8.965 -3.872 4.395 351 HE1 TRP 44 HE1 TRP 44 -8.233 -5.680 6.083 352 HE3 TRP 44 HE3 TRP 44 -11.459 -7.903 2.505 353 HZ2 TRP 44 HZ2 TRP 44 -8.657 -8.472 6.567 354 HZ3 TRP 44 HZ3 TRP 44 -11.282 -10.121 3.597 355 HH2 TRP 44 HH2 TRP 44 -9.884 -10.409 5.624 356 H VAL 45 H VAL 45 -10.530 -1.922 2.437 357 HA VAL 45 HA VAL 45 -9.636 -1.428 5.158 358 HB VAL 45 HB VAL 45 -9.266 -0.239 2.458 359 1HG1 VAL 45 2HG1 VAL 45 -8.796 1.300 5.012 360 2HG1 VAL 45 1HG1 VAL 45 -8.103 1.732 3.449 361 3HG1 VAL 45 3HG1 VAL 45 -9.852 1.754 3.674 362 1HG2 VAL 45 2HG2 VAL 45 -7.480 -0.999 4.774 363 2HG2 VAL 45 1HG2 VAL 45 -7.661 -1.846 3.236 364 3HG2 VAL 45 3HG2 VAL 45 -6.881 -0.264 3.286 365 H GLU 46 H GLU 46 -10.087 0.728 6.222 366 HA GLU 46 HA GLU 46 -12.900 1.577 5.670 367 1HB GLU 46 2HB GLU 46 -12.191 0.390 7.931 368 2HB GLU 46 1HB GLU 46 -11.607 2.003 8.341 369 1HG GLU 46 2HG GLU 46 -13.848 2.929 7.798 370 2HG GLU 46 1HG GLU 46 -14.425 1.293 7.474 371 H TYR 47 H TYR 47 -12.810 3.480 4.623 372 HA TYR 47 HA TYR 47 -10.607 5.361 5.078 373 1HB TYR 47 2HB TYR 47 -13.107 5.661 3.388 374 2HB TYR 47 1HB TYR 47 -11.646 6.643 3.276 375 HD1 TYR 47 HD2 TYR 47 -9.551 4.497 3.624 376 HD2 TYR 47 HD1 TYR 47 -13.155 4.590 1.277 377 HE1 TYR 47 HE2 TYR 47 -8.565 2.851 2.040 378 HE2 TYR 47 HE1 TYR 47 -12.163 2.953 -0.299 379 HH TYR 47 HH TYR 47 -10.146 2.051 -0.967 380 HA PRO 48 HA PRO 48 -10.807 7.772 4.383 381 1HB PRO 48 2HB PRO 48 -9.629 9.674 5.983 382 2HB PRO 48 1HB PRO 48 -11.095 9.950 5.023 383 1HG PRO 48 2HG PRO 48 -10.829 9.494 7.966 384 2HG PRO 48 1HG PRO 48 -12.044 10.432 7.078 385 1HD PRO 48 2HD PRO 48 -12.458 7.866 8.124 386 2HD PRO 48 1HD PRO 48 -13.439 8.616 6.844 387 H LEU 49 H LEU 49 -8.937 6.762 4.031 388 HA LEU 49 HA LEU 49 -7.494 5.535 6.318 389 1HB LEU 49 2HB LEU 49 -7.951 3.909 4.691 390 2HB LEU 49 1HB LEU 49 -7.677 5.031 3.360 391 HG LEU 49 HG LEU 49 -5.226 5.062 4.031 392 1HD1 LEU 49 3HD1 LEU 49 -6.252 3.667 6.258 393 2HD1 LEU 49 2HD1 LEU 49 -5.351 2.469 5.328 394 3HD1 LEU 49 1HD1 LEU 49 -4.555 3.942 5.876 395 1HD2 LEU 49 3HD2 LEU 49 -6.777 2.966 2.735 396 2HD2 LEU 49 2HD2 LEU 49 -5.243 3.691 2.246 397 3HD2 LEU 49 1HD2 LEU 49 -5.262 2.352 3.394 398 H VAL 50 H VAL 50 -5.092 5.674 6.299 399 HA VAL 50 HA VAL 50 -4.119 8.175 4.979 400 HB VAL 50 HB VAL 50 -3.878 7.221 7.810 401 1HG1 VAL 50 3HG1 VAL 50 -1.740 8.735 6.293 402 2HG1 VAL 50 2HG1 VAL 50 -1.912 8.843 8.045 403 3HG1 VAL 50 1HG1 VAL 50 -1.546 7.293 7.290 404 1HG2 VAL 50 1HG2 VAL 50 -5.327 9.154 6.786 405 2HG2 VAL 50 3HG2 VAL 50 -4.478 9.421 8.309 406 3HG2 VAL 50 2HG2 VAL 50 -3.806 10.047 6.804 407 H LEU 51 H LEU 51 -3.064 7.126 3.258 408 HA LEU 51 HA LEU 51 -1.274 4.851 3.811 409 1HB LEU 51 2HB LEU 51 -2.609 5.024 1.688 410 2HB LEU 51 1HB LEU 51 -1.642 6.439 1.258 411 HG LEU 51 HG LEU 51 0.404 4.871 1.614 412 1HD1 LEU 51 1HD1 LEU 51 -1.906 2.990 1.591 413 2HD1 LEU 51 3HD1 LEU 51 -0.390 2.492 0.831 414 3HD1 LEU 51 2HD1 LEU 51 -0.423 2.922 2.549 415 1HD2 LEU 51 3HD2 LEU 51 -1.516 4.489 -0.682 416 2HD2 LEU 51 2HD2 LEU 51 -0.253 5.719 -0.570 417 3HD2 LEU 51 1HD2 LEU 51 0.180 4.016 -0.700 418 H GLU 52 H GLU 52 -0.191 6.644 5.379 419 HA GLU 52 HA GLU 52 1.477 8.646 4.208 420 1HB GLU 52 2HB GLU 52 1.059 8.630 6.608 421 2HB GLU 52 1HB GLU 52 1.828 7.049 6.764 422 1HG GLU 52 2HG GLU 52 3.978 7.931 6.229 423 2HG GLU 52 1HG GLU 52 3.293 9.454 5.662 424 H TRP 53 H TRP 53 2.443 7.628 2.322 425 HA TRP 53 HA TRP 53 4.100 5.262 2.692 426 1HB TRP 53 2HB TRP 53 2.855 6.045 0.529 427 2HB TRP 53 1HB TRP 53 4.302 7.029 0.273 428 HD1 TRP 53 HD1 TRP 53 6.674 5.403 0.861 429 HE1 TRP 53 HE1 TRP 53 7.184 3.104 -0.185 430 HE3 TRP 53 HE3 TRP 53 1.995 4.071 -0.642 431 HZ2 TRP 53 HZ2 TRP 53 5.772 0.986 -1.486 432 HZ3 TRP 53 HZ3 TRP 53 1.594 1.913 -1.772 433 HH2 TRP 53 HH2 TRP 53 3.482 0.358 -2.194 434 H ARG 54 H ARG 54 5.687 5.947 4.259 435 HA ARG 54 HA ARG 54 7.211 8.323 4.147 436 1HB ARG 54 2HB ARG 54 8.083 5.572 5.090 437 2HB ARG 54 1HB ARG 54 8.921 7.079 5.452 438 1HG ARG 54 2HG ARG 54 6.019 6.575 6.152 439 2HG ARG 54 1HG ARG 54 7.353 6.291 7.270 440 1HD ARG 54 2HD ARG 54 6.971 8.953 5.894 441 2HD ARG 54 1HD ARG 54 6.185 8.576 7.427 442 HE ARG 54 HE ARG 54 8.938 7.972 7.718 443 1HH1 ARG 54 1HH2 ARG 54 7.119 9.922 9.307 444 2HH1 ARG 54 2HH2 ARG 54 8.023 11.389 9.138 445 1HH2 ARG 54 2HH1 ARG 54 10.005 10.183 6.560 446 2HH2 ARG 54 1HH1 ARG 54 9.657 11.536 7.583 447 H GLN 55 H GLN 55 9.170 5.474 3.619 448 HA GLN 55 HA GLN 55 10.500 6.798 1.372 449 1HB GLN 55 2HB GLN 55 10.941 4.331 3.005 450 2HB GLN 55 1HB GLN 55 11.657 4.385 1.394 451 1HG GLN 55 2HG GLN 55 13.108 5.278 3.309 452 2HG GLN 55 1HG GLN 55 12.923 6.337 1.911 453 1HE2 GLN 55 2HE2 GLN 55 11.296 8.876 3.742 454 2HE2 GLN 55 1HE2 GLN 55 11.931 8.375 2.249 455 H PHE 56 H PHE 56 9.846 6.560 -0.715 456 HA PHE 56 HA PHE 56 8.215 4.141 -1.383 457 1HB PHE 56 2HB PHE 56 6.839 6.145 -1.484 458 2HB PHE 56 1HB PHE 56 8.038 6.957 -2.493 459 HD1 PHE 56 HD1 PHE 56 8.388 6.285 -4.834 460 HD2 PHE 56 HD2 PHE 56 5.404 4.404 -2.388 461 HE1 PHE 56 HE1 PHE 56 7.354 5.298 -6.852 462 HE2 PHE 56 HE2 PHE 56 4.371 3.413 -4.401 463 HZ PHE 56 HZ PHE 56 5.344 3.861 -6.642 464 H GLU 57 H GLU 57 10.702 6.403 -2.501 465 HA GLU 57 HA GLU 57 11.088 5.243 -5.088 466 1HB GLU 57 2HB GLU 57 12.670 7.009 -3.275 467 2HB GLU 57 1HB GLU 57 13.531 6.216 -4.595 468 1HG GLU 57 2HG GLU 57 11.931 7.131 -6.216 469 2HG GLU 57 1HG GLU 57 11.021 7.890 -4.909 470 H GLN 58 H GLN 58 13.209 4.878 -2.226 471 HA GLN 58 HA GLN 58 14.805 2.808 -3.194 472 1HB GLN 58 2HB GLN 58 14.642 2.042 -0.607 473 2HB GLN 58 1HB GLN 58 15.612 3.408 -1.148 474 1HG GLN 58 2HG GLN 58 13.941 4.979 -0.510 475 2HG GLN 58 1HG GLN 58 12.720 3.721 -0.326 476 1HE2 GLN 58 2HE2 GLN 58 14.295 2.496 2.765 477 2HE2 GLN 58 1HE2 GLN 58 13.708 1.854 1.306 478 H SER 59 H SER 59 11.936 2.241 -1.104 479 HA SER 59 HA SER 59 11.890 -0.559 -1.396 480 1HB SER 59 2HB SER 59 9.320 -0.197 -1.032 481 2HB SER 59 1HB SER 59 10.448 0.255 0.248 482 HG SER 59 HG SER 59 9.256 2.042 -0.008 483 H LYS 60 H LYS 60 10.964 1.905 -3.656 484 HA LYS 60 HA LYS 60 9.351 0.089 -5.305 485 1HB LYS 60 2HB LYS 60 8.765 2.444 -5.207 486 2HB LYS 60 1HB LYS 60 10.367 2.889 -5.807 487 1HG LYS 60 2HG LYS 60 9.098 0.926 -7.538 488 2HG LYS 60 1HG LYS 60 8.096 2.366 -7.364 489 1HD LYS 60 2HD LYS 60 9.818 3.795 -8.159 490 2HD LYS 60 1HD LYS 60 11.052 2.551 -7.955 491 1HE LYS 60 2HE LYS 60 10.736 2.140 -10.163 492 2HE LYS 60 1HE LYS 60 9.265 1.316 -9.647 493 1HZ LYS 60 2HZ LYS 60 9.339 4.222 -10.202 494 2HZ LYS 60 1HZ LYS 60 9.007 3.077 -11.412 495 3HZ LYS 60 3HZ LYS 60 7.980 3.212 -10.069 496 H GLN 61 H GLN 61 12.691 1.152 -5.199 497 HA GLN 61 HA GLN 61 13.272 0.371 -7.943 498 1HB GLN 61 2HB GLN 61 14.630 1.739 -5.824 499 2HB GLN 61 1HB GLN 61 15.661 0.440 -6.425 500 1HG GLN 61 2HG GLN 61 15.337 1.253 -8.736 501 2HG GLN 61 1HG GLN 61 14.319 2.560 -8.130 502 1HE2 GLN 61 2HE2 GLN 61 18.348 2.924 -7.960 503 2HE2 GLN 61 1HE2 GLN 61 17.605 1.567 -8.660 504 H LEU 62 H LEU 62 14.549 -0.858 -4.916 505 HA LEU 62 HA LEU 62 15.792 -3.150 -5.694 506 1HB LEU 62 2HB LEU 62 14.399 -4.131 -3.506 507 2HB LEU 62 1HB LEU 62 15.931 -3.260 -3.445 508 HG LEU 62 HG LEU 62 14.746 -1.139 -3.190 509 1HD1 LEU 62 2HD1 LEU 62 12.501 -2.810 -4.040 510 2HD1 LEU 62 1HD1 LEU 62 12.121 -1.835 -2.632 511 3HD1 LEU 62 3HD1 LEU 62 12.672 -1.054 -4.114 512 1HD2 LEU 62 1HD2 LEU 62 13.726 -3.292 -1.316 513 2HD2 LEU 62 3HD2 LEU 62 15.237 -2.396 -1.147 514 3HD2 LEU 62 2HD2 LEU 62 13.693 -1.559 -0.985 515 H THR 63 H THR 63 12.370 -2.629 -5.847 516 HA THR 63 HA THR 63 11.968 -5.465 -6.667 517 HB THR 63 HB THR 63 10.537 -4.406 -4.826 518 HG1 THR 63 HG1 THR 63 10.009 -6.195 -6.457 519 1HG2 THR 63 2HG2 THR 63 10.212 -2.442 -6.829 520 2HG2 THR 63 1HG2 THR 63 8.649 -3.240 -6.657 521 3HG2 THR 63 3HG2 THR 63 9.423 -2.507 -5.253 522 H GLU 64 H GLU 64 9.401 -4.450 -8.013 523 HA GLU 64 HA GLU 64 10.387 -2.851 -10.256 524 1HB GLU 64 2HB GLU 64 9.806 -4.660 -11.930 525 2HB GLU 64 1HB GLU 64 11.252 -4.987 -10.975 526 1HG GLU 64 2HG GLU 64 8.845 -5.950 -9.646 527 2HG GLU 64 1HG GLU 64 9.043 -6.673 -11.243 528 H ASN 65 H ASN 65 8.582 -1.561 -9.474 529 HA ASN 65 HA ASN 65 6.394 -0.774 -9.911 530 1HB ASN 65 2HB ASN 65 6.673 -2.666 -11.852 531 2HB ASN 65 1HB ASN 65 5.364 -3.366 -10.897 532 1HD2 ASN 65 2HD2 ASN 65 3.057 -1.237 -12.481 533 2HD2 ASN 65 1HD2 ASN 65 3.435 -2.797 -11.928 534 H GLY 66 H GLY 66 7.352 -3.343 -7.995 535 1HA GLY 66 2HA GLY 66 4.972 -4.386 -6.908 536 2HA GLY 66 1HA GLY 66 6.468 -4.180 -5.990 537 H ALA 67 H ALA 67 6.881 -1.812 -5.306 538 HA ALA 67 HA ALA 67 4.723 -0.919 -3.668 539 1HB ALA 67 3HB ALA 67 7.238 0.469 -4.631 540 2HB ALA 67 2HB ALA 67 6.113 1.212 -3.494 541 3HB ALA 67 1HB ALA 67 6.954 -0.277 -3.059 542 H GLU 68 H GLU 68 5.927 0.292 -6.805 543 HA GLU 68 HA GLU 68 4.187 2.481 -7.079 544 1HB GLU 68 2HB GLU 68 6.127 1.826 -8.599 545 2HB GLU 68 1HB GLU 68 5.018 0.687 -9.364 546 1HG GLU 68 2HG GLU 68 3.883 2.330 -10.445 547 2HG GLU 68 1HG GLU 68 3.918 3.401 -9.045 548 H SER 69 H SER 69 3.487 -0.889 -7.141 549 HA SER 69 HA SER 69 0.992 -0.550 -8.657 550 1HB SER 69 2HB SER 69 2.652 -2.768 -7.816 551 2HB SER 69 1HB SER 69 0.977 -3.054 -7.358 552 HG SER 69 HG SER 69 2.123 -2.677 -9.892 553 H VAL 70 H VAL 70 1.758 -1.625 -5.295 554 HA VAL 70 HA VAL 70 -0.885 -1.552 -4.353 555 HB VAL 70 HB VAL 70 1.663 -0.753 -2.902 556 1HG1 VAL 70 3HG1 VAL 70 -1.032 -0.324 -2.150 557 2HG1 VAL 70 2HG1 VAL 70 -0.481 -1.705 -1.210 558 3HG1 VAL 70 1HG1 VAL 70 0.395 -0.176 -1.126 559 1HG2 VAL 70 3HG2 VAL 70 1.466 -3.133 -3.752 560 2HG2 VAL 70 2HG2 VAL 70 1.608 -3.003 -1.999 561 3HG2 VAL 70 1HG2 VAL 70 0.036 -3.313 -2.735 562 H LEU 71 H LEU 71 1.369 0.918 -5.207 563 HA LEU 71 HA LEU 71 -0.156 3.007 -3.919 564 1HB LEU 71 2HB LEU 71 2.374 3.036 -4.374 565 2HB LEU 71 1HB LEU 71 1.940 3.445 -6.034 566 HG LEU 71 HG LEU 71 0.830 5.442 -5.347 567 1HD1 LEU 71 2HD1 LEU 71 0.913 4.126 -2.674 568 2HD1 LEU 71 1HD1 LEU 71 0.968 5.891 -2.719 569 3HD1 LEU 71 3HD1 LEU 71 -0.398 5.030 -3.444 570 1HD2 LEU 71 1HD2 LEU 71 3.418 5.284 -5.265 571 2HD2 LEU 71 3HD2 LEU 71 2.650 6.693 -4.533 572 3HD2 LEU 71 2HD2 LEU 71 3.216 5.369 -3.515 573 H GLN 72 H GLN 72 0.257 1.801 -7.250 574 HA GLN 72 HA GLN 72 -1.309 3.818 -8.502 575 1HB GLN 72 2HB GLN 72 -0.656 0.967 -9.131 576 2HB GLN 72 1HB GLN 72 -1.963 1.733 -10.034 577 1HG GLN 72 2HG GLN 72 -0.459 3.560 -10.697 578 2HG GLN 72 1HG GLN 72 0.850 2.835 -9.763 579 1HE2 GLN 72 2HE2 GLN 72 0.802 -0.100 -12.095 580 2HE2 GLN 72 1HE2 GLN 72 0.514 0.100 -10.435 581 H VAL 73 H VAL 73 -2.136 1.102 -6.543 582 HA VAL 73 HA VAL 73 -5.008 1.260 -7.121 583 HB VAL 73 HB VAL 73 -3.457 -0.353 -5.082 584 1HG1 VAL 73 2HG1 VAL 73 -5.893 0.150 -4.559 585 2HG1 VAL 73 1HG1 VAL 73 -6.289 -0.729 -6.033 586 3HG1 VAL 73 3HG1 VAL 73 -5.481 -1.559 -4.707 587 1HG2 VAL 73 2HG2 VAL 73 -3.612 -0.554 -7.857 588 2HG2 VAL 73 1HG2 VAL 73 -3.139 -1.852 -6.755 589 3HG2 VAL 73 3HG2 VAL 73 -4.820 -1.712 -7.287 590 H PHE 74 H PHE 74 -2.933 1.911 -4.278 591 HA PHE 74 HA PHE 74 -4.881 2.794 -2.505 592 1HB PHE 74 2HB PHE 74 -1.987 3.265 -2.934 593 2HB PHE 74 1HB PHE 74 -2.822 4.492 -2.000 594 HD1 PHE 74 HD2 PHE 74 -4.583 3.442 -0.209 595 HD2 PHE 74 HD1 PHE 74 -1.071 1.503 -1.744 596 HE1 PHE 74 HE2 PHE 74 -4.563 1.906 1.725 597 HE2 PHE 74 HE1 PHE 74 -1.060 -0.020 0.211 598 HZ PHE 74 HZ PHE 74 -2.822 0.192 1.931 599 H ARG 75 H ARG 75 -2.902 4.680 -4.733 600 HA ARG 75 HA ARG 75 -4.326 7.131 -4.530 601 1HB ARG 75 2HB ARG 75 -2.533 5.918 -6.626 602 2HB ARG 75 1HB ARG 75 -3.352 7.451 -6.930 603 1HG ARG 75 2HG ARG 75 -2.397 8.263 -4.714 604 2HG ARG 75 1HG ARG 75 -1.395 6.810 -4.715 605 1HD ARG 75 2HD ARG 75 -0.450 9.031 -5.757 606 2HD ARG 75 1HD ARG 75 -0.163 7.495 -6.574 607 HE ARG 75 HE ARG 75 -2.381 9.338 -7.377 608 1HH1 ARG 75 2HH1 ARG 75 0.676 8.186 -8.186 609 2HH1 ARG 75 1HH1 ARG 75 0.279 7.781 -9.822 610 1HH2 ARG 75 1HH2 ARG 75 -3.115 8.372 -9.426 611 2HH2 ARG 75 2HH2 ARG 75 -1.867 7.886 -10.524 612 H GLU 76 H GLU 76 -4.718 4.339 -6.780 613 HA GLU 76 HA GLU 76 -6.714 5.485 -8.431 614 1HB GLU 76 2HB GLU 76 -5.905 2.754 -7.657 615 2HB GLU 76 1HB GLU 76 -7.569 2.905 -8.215 616 1HG GLU 76 2HG GLU 76 -6.931 3.695 -10.316 617 2HG GLU 76 1HG GLU 76 -5.340 4.204 -9.748 618 H ALA 77 H ALA 77 -6.885 4.333 -5.151 619 HA ALA 77 HA ALA 77 -9.813 4.279 -5.074 620 1HB ALA 77 1HB ALA 77 -7.916 3.051 -3.572 621 2HB ALA 77 3HB ALA 77 -8.233 4.461 -2.563 622 3HB ALA 77 2HB ALA 77 -9.548 3.364 -2.978 623 H LYS 78 H LYS 78 -7.270 6.357 -3.606 624 HA LYS 78 HA LYS 78 -9.101 8.303 -2.613 625 1HB LYS 78 2HB LYS 78 -7.188 9.565 -2.126 626 2HB LYS 78 1HB LYS 78 -6.577 7.918 -2.100 627 1HG LYS 78 2HG LYS 78 -5.040 8.579 -3.608 628 2HG LYS 78 1HG LYS 78 -6.354 8.700 -4.777 629 1HD LYS 78 2HD LYS 78 -5.137 10.821 -4.693 630 2HD LYS 78 1HD LYS 78 -6.756 11.044 -4.030 631 1HE LYS 78 2HE LYS 78 -5.976 11.133 -1.815 632 2HE LYS 78 1HE LYS 78 -4.451 10.347 -2.224 633 1HZ LYS 78 2HZ LYS 78 -4.893 12.793 -3.661 634 2HZ LYS 78 1HZ LYS 78 -4.824 13.017 -1.978 635 3HZ LYS 78 3HZ LYS 78 -3.530 12.279 -2.787 636 H ALA 79 H ALA 79 -8.219 7.482 -5.773 637 HA ALA 79 HA ALA 79 -8.657 10.167 -6.921 638 1HB ALA 79 3HB ALA 79 -7.128 8.026 -7.715 639 2HB ALA 79 2HB ALA 79 -8.574 7.812 -8.705 640 3HB ALA 79 1HB ALA 79 -7.656 9.320 -8.793 641 H GLU 80 H GLU 80 -9.913 6.963 -7.747 642 HA GLU 80 HA GLU 80 -12.230 7.755 -9.062 643 1HB GLU 80 2HB GLU 80 -12.036 5.324 -7.273 644 2HB GLU 80 1HB GLU 80 -13.022 5.526 -8.720 645 1HG GLU 80 2HG GLU 80 -10.264 6.081 -9.343 646 2HG GLU 80 1HG GLU 80 -10.405 4.493 -8.588 647 H GLY 81 H GLY 81 -12.095 6.745 -5.599 648 1HA GLY 81 2HA GLY 81 -13.939 8.890 -4.877 649 2HA GLY 81 1HA GLY 81 -14.723 7.309 -4.895 650 H ALA 82 H ALA 82 -12.335 5.870 -3.992 651 HA ALA 82 HA ALA 82 -12.700 5.610 -1.303 652 1HB ALA 82 1HB ALA 82 -10.747 4.792 -3.094 653 2HB ALA 82 3HB ALA 82 -9.835 5.694 -1.882 654 3HB ALA 82 2HB ALA 82 -10.843 4.329 -1.396 655 H ASP 83 H ASP 83 -11.843 6.553 0.610 656 HA ASP 83 HA ASP 83 -10.952 9.384 0.263 657 1HB ASP 83 2HB ASP 83 -12.716 7.996 2.186 658 2HB ASP 83 1HB ASP 83 -11.580 9.126 2.923 659 H ILE 84 H ILE 84 -8.919 7.756 -0.187 660 HA ILE 84 HA ILE 84 -7.531 7.247 2.389 661 HB ILE 84 HB ILE 84 -6.925 6.399 -0.457 662 1HG1 ILE 84 2HG1 ILE 84 -7.249 4.429 1.688 663 2HG1 ILE 84 1HG1 ILE 84 -8.701 5.376 1.363 664 1HG2 ILE 84 1HG2 ILE 84 -4.890 6.862 1.045 665 2HG2 ILE 84 3HG2 ILE 84 -5.480 5.540 2.056 666 3HG2 ILE 84 2HG2 ILE 84 -5.012 5.233 0.379 667 1HD1 ILE 84 2HD1 ILE 84 -7.214 4.359 -1.000 668 2HD1 ILE 84 1HD1 ILE 84 -8.070 3.162 -0.032 669 3HD1 ILE 84 3HD1 ILE 84 -8.952 4.511 -0.743 670 H THR 85 H THR 85 -5.380 8.069 2.709 671 HA THR 85 HA THR 85 -4.842 10.568 1.170 672 HB THR 85 HB THR 85 -3.715 9.832 3.884 673 HG1 THR 85 HG1 THR 85 -5.546 10.373 4.721 674 1HG2 THR 85 2HG2 THR 85 -3.843 12.297 2.169 675 2HG2 THR 85 1HG2 THR 85 -3.713 12.449 3.921 676 3HG2 THR 85 3HG2 THR 85 -2.460 11.602 3.014 677 H ILE 86 H ILE 86 -3.599 9.657 -0.501 678 HA ILE 86 HA ILE 86 -1.447 7.790 0.111 679 HB ILE 86 HB ILE 86 -2.664 8.964 -2.322 680 1HG1 ILE 86 2HG1 ILE 86 -2.686 6.711 -3.032 681 2HG1 ILE 86 1HG1 ILE 86 -1.336 6.276 -1.987 682 1HG2 ILE 86 1HG2 ILE 86 0.276 8.515 -2.055 683 2HG2 ILE 86 3HG2 ILE 86 -0.501 7.927 -3.524 684 3HG2 ILE 86 2HG2 ILE 86 -0.598 9.635 -3.099 685 1HD1 ILE 86 2HD1 ILE 86 -3.612 7.318 -0.470 686 2HD1 ILE 86 1HD1 ILE 86 -4.031 5.891 -1.411 687 3HD1 ILE 86 3HD1 ILE 86 -2.710 5.815 -0.243 688 H ILE 87 H ILE 87 0.163 8.631 1.308 689 HA ILE 87 HA ILE 87 1.195 11.340 0.619 690 HB ILE 87 HB ILE 87 2.262 9.693 2.886 691 1HG1 ILE 87 2HG1 ILE 87 -0.435 11.068 2.759 692 2HG1 ILE 87 1HG1 ILE 87 -0.101 9.392 3.196 693 1HG2 ILE 87 2HG2 ILE 87 1.659 12.638 2.476 694 2HG2 ILE 87 1HG2 ILE 87 2.378 11.947 3.929 695 3HG2 ILE 87 3HG2 ILE 87 3.251 11.884 2.398 696 1HD1 ILE 87 1HD1 ILE 87 1.464 10.754 4.993 697 2HD1 ILE 87 3HD1 ILE 87 0.077 11.831 4.840 698 3HD1 ILE 87 2HD1 ILE 87 -0.160 10.156 5.335 699 H LEU 88 H LEU 88 2.967 11.488 -0.658 700 HA LEU 88 HA LEU 88 4.841 9.156 -0.720 701 1HB LEU 88 2HB LEU 88 3.801 10.890 -2.963 702 2HB LEU 88 1HB LEU 88 5.305 9.980 -3.124 703 HG LEU 88 HG LEU 88 2.939 8.498 -2.085 704 1HD1 LEU 88 2HD1 LEU 88 2.618 10.061 -4.359 705 2HD1 LEU 88 1HD1 LEU 88 3.071 8.486 -5.008 706 3HD1 LEU 88 3HD1 LEU 88 1.667 8.632 -3.951 707 1HD2 LEU 88 3HD2 LEU 88 5.530 7.920 -3.005 708 2HD2 LEU 88 2HD2 LEU 88 4.263 6.752 -2.632 709 3HD2 LEU 88 1HD2 LEU 88 4.456 7.347 -4.281 710 H SER 89 HN SER 89 7.051 9.960 -1.704 711 HA SER 89 HA SER 89 7.821 12.695 -1.436 712 1HB SER 89 2HB SER 89 8.783 12.817 0.712 713 2HB SER 89 1HB SER 89 7.259 11.976 1.002 714 HG SER 89 HG SER 89 8.416 10.016 0.914 No H/Q in entry = 714 Start of MODEL 21 1 1H LYS 1 3H LYS 1 -8.462 5.665 9.505 2 2H LYS 1 2H LYS 1 -8.996 4.909 8.080 3 3H LYS 1 1H LYS 1 -9.484 4.314 9.595 4 HA LYS 1 HA LYS 1 -7.410 3.429 10.083 5 1HB LYS 1 2HB LYS 1 -8.249 3.110 7.221 6 2HB LYS 1 1HB LYS 1 -6.730 2.383 7.746 7 1HG LYS 1 2HG LYS 1 -9.438 1.929 9.036 8 2HG LYS 1 1HG LYS 1 -8.595 0.786 7.991 9 1HD LYS 1 2HD LYS 1 -6.638 0.991 9.666 10 2HD LYS 1 1HD LYS 1 -7.822 1.716 10.754 11 1HE LYS 1 2HE LYS 1 -8.983 -0.633 9.600 12 2HE LYS 1 1HE LYS 1 -7.391 -1.054 10.231 13 1HZ LYS 1 2HZ LYS 1 -8.972 0.663 11.940 14 2HZ LYS 1 1HZ LYS 1 -9.608 -0.896 11.720 15 3HZ LYS 1 3HZ LYS 1 -8.038 -0.700 12.332 16 H LYS 2 H LYS 2 -5.102 3.475 9.846 17 HA LYS 2 HA LYS 2 -4.057 5.697 8.150 18 1HB LYS 2 2HB LYS 2 -4.044 6.698 10.286 19 2HB LYS 2 1HB LYS 2 -3.585 5.196 11.087 20 1HG LYS 2 2HG LYS 2 -1.384 5.607 10.784 21 2HG LYS 2 1HG LYS 2 -1.623 6.015 9.084 22 1HD LYS 2 2HD LYS 2 -2.475 8.263 9.804 23 2HD LYS 2 1HD LYS 2 -2.039 7.847 11.463 24 1HE LYS 2 2HE LYS 2 0.309 7.304 10.416 25 2HE LYS 2 1HE LYS 2 -0.245 8.347 9.105 26 1HZ LYS 2 1HZ LYS 2 -0.609 9.303 11.842 27 2HZ LYS 2 3HZ LYS 2 0.971 9.301 11.223 28 3HZ LYS 2 2HZ LYS 2 -0.252 10.171 10.425 29 H ALA 3 H ALA 3 -3.065 4.390 6.637 30 HA ALA 3 HA ALA 3 -1.355 2.154 7.542 31 1HB ALA 3 1HB ALA 3 -2.554 3.035 4.973 32 2HB ALA 3 3HB ALA 3 -0.966 2.274 4.856 33 3HB ALA 3 2HB ALA 3 -2.309 1.404 5.598 34 H VAL 4 H VAL 4 0.929 2.136 7.130 35 HA VAL 4 HA VAL 4 2.103 4.703 6.217 36 HB VAL 4 HB VAL 4 2.669 3.346 8.864 37 1HG1 VAL 4 1HG1 VAL 4 4.428 4.870 7.109 38 2HG1 VAL 4 3HG1 VAL 4 4.224 5.660 8.672 39 3HG1 VAL 4 2HG1 VAL 4 4.814 3.999 8.594 40 1HG2 VAL 4 2HG2 VAL 4 1.156 5.670 7.980 41 2HG2 VAL 4 1HG2 VAL 4 1.204 4.913 9.572 42 3HG2 VAL 4 3HG2 VAL 4 2.410 6.125 9.135 43 H ILE 5 H ILE 5 3.738 4.342 4.858 44 HA ILE 5 HA ILE 5 4.862 1.595 4.670 45 HB ILE 5 HB ILE 5 5.228 3.848 2.692 46 1HG1 ILE 5 2HG1 ILE 5 2.738 3.127 3.410 47 2HG1 ILE 5 1HG1 ILE 5 3.147 3.509 1.752 48 1HG2 ILE 5 3HG2 ILE 5 5.824 0.969 2.825 49 2HG2 ILE 5 2HG2 ILE 5 5.065 1.476 1.317 50 3HG2 ILE 5 1HG2 ILE 5 6.566 2.233 1.844 51 1HD1 ILE 5 3HD1 ILE 5 3.616 0.697 2.510 52 2HD1 ILE 5 2HD1 ILE 5 1.927 1.203 2.538 53 3HD1 ILE 5 1HD1 ILE 5 2.871 1.368 1.057 54 H ASN 6 H ASN 6 6.962 1.281 5.306 55 HA ASN 6 HA ASN 6 8.642 3.727 5.675 56 1HB ASN 6 2HB ASN 6 9.131 1.274 7.315 57 2HB ASN 6 1HB ASN 6 9.393 2.971 7.732 58 1HD2 ASN 6 2HD2 ASN 6 6.333 1.653 9.524 59 2HD2 ASN 6 1HD2 ASN 6 7.939 1.112 9.435 60 H GLY 7 H GLY 7 10.112 3.659 4.035 61 1HA GLY 7 2HA GLY 7 10.971 1.157 2.841 62 2HA GLY 7 1HA GLY 7 11.624 2.758 2.470 63 H GLU 8 H GLU 8 11.781 2.728 5.694 64 HA GLU 8 HA GLU 8 14.616 1.968 5.663 65 1HB GLU 8 2HB GLU 8 13.935 4.036 6.818 66 2HB GLU 8 1HB GLU 8 12.896 3.095 7.889 67 1HG GLU 8 2HG GLU 8 15.036 3.576 8.995 68 2HG GLU 8 1HG GLU 8 14.881 1.845 8.692 69 H GLN 9 H GLN 9 11.648 0.515 6.378 70 HA GLN 9 HA GLN 9 13.027 -1.598 7.981 71 1HB GLN 9 2HB GLN 9 11.196 -0.253 9.158 72 2HB GLN 9 1HB GLN 9 10.063 -1.018 8.044 73 1HG GLN 9 2HG GLN 9 10.226 -3.053 9.065 74 2HG GLN 9 1HG GLN 9 11.948 -2.858 9.399 75 1HE2 GLN 9 2HE2 GLN 9 9.284 -2.031 12.299 76 2HE2 GLN 9 1HE2 GLN 9 8.844 -2.770 10.835 77 H ILE 10 H ILE 10 11.166 -0.835 5.206 78 HA ILE 10 HA ILE 10 10.256 -3.548 4.669 79 HB ILE 10 HB ILE 10 10.481 -1.103 2.891 80 1HG1 ILE 10 2HG1 ILE 10 8.827 -1.027 4.781 81 2HG1 ILE 10 1HG1 ILE 10 8.069 -0.962 3.192 82 1HG2 ILE 10 3HG2 ILE 10 10.012 -3.902 2.260 83 2HG2 ILE 10 2HG2 ILE 10 8.626 -2.905 1.815 84 3HG2 ILE 10 1HG2 ILE 10 10.224 -2.533 1.169 85 1HD1 ILE 10 1HD1 ILE 10 8.009 -3.599 3.483 86 2HD1 ILE 10 3HD1 ILE 10 8.094 -3.187 5.195 87 3HD1 ILE 10 2HD1 ILE 10 6.762 -2.585 4.208 88 H ARG 11 H ARG 11 12.033 -4.920 4.644 89 HA ARG 11 HA ARG 11 14.562 -4.363 3.431 90 1HB ARG 11 2HB ARG 11 13.661 -7.173 3.208 91 2HB ARG 11 1HB ARG 11 15.112 -6.515 3.965 92 1HG ARG 11 2HG ARG 11 13.594 -5.688 5.842 93 2HG ARG 11 1HG ARG 11 12.331 -6.693 5.125 94 1HD ARG 11 2HD ARG 11 13.724 -8.687 5.382 95 2HD ARG 11 1HD ARG 11 15.050 -7.709 6.008 96 HE ARG 11 HE ARG 11 12.953 -7.138 7.721 97 1HH1 ARG 11 2HH1 ARG 11 12.966 -10.176 6.441 98 2HH1 ARG 11 1HH1 ARG 11 13.329 -11.016 7.910 99 1HH2 ARG 11 1HH2 ARG 11 14.080 -8.133 9.685 100 2HH2 ARG 11 2HH2 ARG 11 13.960 -9.861 9.748 101 H SER 12 H SER 12 11.648 -5.938 2.185 102 HA SER 12 HA SER 12 12.371 -5.080 -0.548 103 1HB SER 12 2HB SER 12 12.273 -7.281 -1.512 104 2HB SER 12 1HB SER 12 13.404 -7.371 -0.164 105 HG SER 12 HG SER 12 11.781 -9.070 -0.255 106 H ILE 13 H ILE 13 10.450 -5.952 -2.062 107 HA ILE 13 HA ILE 13 8.061 -4.748 -1.178 108 HB ILE 13 HB ILE 13 8.698 -5.468 -3.557 109 1HG1 ILE 13 2HG1 ILE 13 6.252 -5.936 -4.121 110 2HG1 ILE 13 1HG1 ILE 13 5.950 -5.906 -2.383 111 1HG2 ILE 13 3HG2 ILE 13 9.116 -7.858 -2.903 112 2HG2 ILE 13 2HG2 ILE 13 7.379 -8.040 -2.655 113 3HG2 ILE 13 1HG2 ILE 13 8.008 -7.679 -4.263 114 1HD1 ILE 13 2HD1 ILE 13 7.489 -3.637 -3.565 115 2HD1 ILE 13 1HD1 ILE 13 5.751 -3.693 -3.856 116 3HD1 ILE 13 3HD1 ILE 13 6.367 -3.645 -2.205 117 H SER 14 H SER 14 9.387 -7.840 -0.402 118 HA SER 14 HA SER 14 7.021 -9.275 0.266 119 1HB SER 14 2HB SER 14 9.778 -9.375 1.529 120 2HB SER 14 1HB SER 14 8.505 -10.557 1.817 121 HG SER 14 HG SER 14 10.246 -10.456 -0.181 122 H ASP 15 H ASP 15 9.049 -7.087 2.236 123 HA ASP 15 HA ASP 15 7.348 -7.311 4.562 124 1HB ASP 15 2HB ASP 15 9.775 -5.877 3.779 125 2HB ASP 15 1HB ASP 15 8.713 -4.906 4.791 126 H LEU 16 H LEU 16 7.363 -5.418 1.686 127 HA LEU 16 HA LEU 16 5.731 -3.226 2.525 128 1HB LEU 16 2HB LEU 16 6.994 -3.499 0.310 129 2HB LEU 16 1HB LEU 16 5.659 -4.516 -0.211 130 HG LEU 16 HG LEU 16 4.349 -2.721 -0.648 131 1HD1 LEU 16 3HD1 LEU 16 5.318 -1.510 1.960 132 2HD1 LEU 16 2HD1 LEU 16 4.088 -0.790 0.922 133 3HD1 LEU 16 1HD1 LEU 16 3.787 -2.345 1.696 134 1HD2 LEU 16 3HD2 LEU 16 6.716 -2.017 -1.364 135 2HD2 LEU 16 2HD2 LEU 16 5.502 -0.744 -1.235 136 3HD2 LEU 16 1HD2 LEU 16 6.691 -0.964 0.050 137 H HIS 17 H HIS 17 4.904 -6.371 1.046 138 HA HIS 17 HA HIS 17 2.086 -6.062 1.062 139 1HB HIS 17 2HB HIS 17 3.707 -8.579 1.519 140 2HB HIS 17 1HB HIS 17 2.023 -8.523 0.990 141 HD1 HIS 17 HD1 HIS 17 2.695 -9.757 -1.222 142 HD2 HIS 17 HD2 HIS 17 4.528 -6.041 -0.742 143 HE1 HIS 17 HE1 HIS 17 3.709 -9.161 -3.464 144 H GLN 18 H GLN 18 4.351 -6.769 3.582 145 HA GLN 18 HA GLN 18 2.319 -7.652 5.482 146 1HB GLN 18 2HB GLN 18 5.151 -6.771 6.080 147 2HB GLN 18 1HB GLN 18 4.117 -7.786 7.084 148 1HG GLN 18 2HG GLN 18 4.041 -9.345 4.983 149 2HG GLN 18 1HG GLN 18 5.495 -8.470 4.501 150 1HE2 GLN 18 2HE2 GLN 18 6.342 -11.461 6.703 151 2HE2 GLN 18 1HE2 GLN 18 5.351 -11.318 5.333 152 H THR 19 H THR 19 3.838 -4.683 4.569 153 HA THR 19 HA THR 19 3.009 -3.215 6.935 154 HB THR 19 HB THR 19 4.003 -2.335 4.221 155 HG1 THR 19 HG1 THR 19 5.058 -2.727 6.770 156 1HG2 THR 19 2HG2 THR 19 2.797 -0.780 6.453 157 2HG2 THR 19 1HG2 THR 19 4.255 -0.113 5.717 158 3HG2 THR 19 3HG2 THR 19 2.831 -0.428 4.724 159 H LEU 20 H LEU 20 1.720 -3.750 3.739 160 HA LEU 20 HA LEU 20 -0.571 -1.961 4.185 161 1HB LEU 20 2HB LEU 20 -0.504 -4.075 2.052 162 2HB LEU 20 1HB LEU 20 -1.211 -2.455 1.983 163 HG LEU 20 HG LEU 20 1.734 -3.105 2.073 164 1HD1 LEU 20 3HD1 LEU 20 -0.131 -2.223 -0.129 165 2HD1 LEU 20 2HD1 LEU 20 1.613 -1.980 -0.235 166 3HD1 LEU 20 1HD1 LEU 20 0.954 -3.611 -0.113 167 1HD2 LEU 20 3HD2 LEU 20 0.841 -0.943 3.194 168 2HD2 LEU 20 2HD2 LEU 20 2.145 -0.778 2.019 169 3HD2 LEU 20 1HD2 LEU 20 0.485 -0.411 1.549 170 H LYS 21 H LYS 21 0.231 -5.351 4.301 171 HA LYS 21 HA LYS 21 -2.500 -6.245 4.817 172 1HB LYS 21 2HB LYS 21 -0.999 -7.868 3.895 173 2HB LYS 21 1HB LYS 21 0.211 -7.549 5.144 174 1HG LYS 21 2HG LYS 21 -0.864 -8.836 6.695 175 2HG LYS 21 1HG LYS 21 -2.464 -8.350 6.130 176 1HD LYS 21 2HD LYS 21 -2.605 -10.071 4.636 177 2HD LYS 21 1HD LYS 21 -0.889 -9.997 4.235 178 1HE LYS 21 2HE LYS 21 -1.657 -10.921 6.974 179 2HE LYS 21 1HE LYS 21 -1.878 -12.036 5.626 180 1HZ LYS 21 1HZ LYS 21 0.639 -10.711 5.496 181 2HZ LYS 21 3HZ LYS 21 0.459 -11.538 6.965 182 3HZ LYS 21 2HZ LYS 21 0.295 -12.375 5.496 183 H LYS 22 H LYS 22 0.099 -4.910 6.665 184 HA LYS 22 HA LYS 22 -0.962 -5.861 9.241 185 1HB LYS 22 2HB LYS 22 1.375 -5.672 9.302 186 2HB LYS 22 1HB LYS 22 1.375 -4.178 8.368 187 1HG LYS 22 2HG LYS 22 0.396 -2.969 10.269 188 2HG LYS 22 1HG LYS 22 0.357 -4.460 11.211 189 1HD LYS 22 2HD LYS 22 2.674 -4.530 11.456 190 2HD LYS 22 1HD LYS 22 2.956 -3.563 10.008 191 1HE LYS 22 2HE LYS 22 1.882 -2.580 12.666 192 2HE LYS 22 1HE LYS 22 3.436 -2.178 11.938 193 1HZ LYS 22 3HZ LYS 22 1.942 -1.389 9.983 194 2HZ LYS 22 2HZ LYS 22 0.741 -1.290 11.180 195 3HZ LYS 22 1HZ LYS 22 2.172 -0.386 11.332 196 H GLU 23 H GLU 23 -0.752 -2.774 7.447 197 HA GLU 23 HA GLU 23 -2.229 -1.353 9.525 198 1HB GLU 23 2HB GLU 23 -1.506 -0.535 6.702 199 2HB GLU 23 1HB GLU 23 -2.189 0.536 7.925 200 1HG GLU 23 2HG GLU 23 0.191 -0.967 8.810 201 2HG GLU 23 1HG GLU 23 0.496 0.187 7.512 202 H LEU 24 H LEU 24 -2.891 -2.374 6.228 203 HA LEU 24 HA LEU 24 -5.671 -1.608 6.283 204 1HB LEU 24 2HB LEU 24 -4.457 -3.750 4.525 205 2HB LEU 24 1HB LEU 24 -5.833 -2.707 4.169 206 HG LEU 24 HG LEU 24 -3.080 -1.574 4.682 207 1HD1 LEU 24 2HD1 LEU 24 -4.270 -2.583 2.098 208 2HD1 LEU 24 1HD1 LEU 24 -2.922 -1.447 2.161 209 3HD1 LEU 24 3HD1 LEU 24 -2.746 -3.061 2.850 210 1HD2 LEU 24 1HD2 LEU 24 -5.472 -0.331 4.557 211 2HD2 LEU 24 3HD2 LEU 24 -3.977 0.419 4.006 212 3HD2 LEU 24 2HD2 LEU 24 -5.061 -0.341 2.843 213 H ALA 25 H ALA 25 -3.871 -4.411 7.313 214 HA ALA 25 HA ALA 25 -4.573 -6.230 8.623 215 1HB ALA 25 1HB ALA 25 -6.421 -4.242 9.188 216 2HB ALA 25 3HB ALA 25 -7.431 -5.589 8.664 217 3HB ALA 25 2HB ALA 25 -6.309 -5.799 10.009 218 H LEU 26 H LEU 26 -4.311 -6.685 5.957 219 HA LEU 26 HA LEU 26 -6.780 -7.861 4.881 220 1HB LEU 26 2HB LEU 26 -3.999 -8.238 3.753 221 2HB LEU 26 1HB LEU 26 -5.542 -8.242 2.895 222 HG LEU 26 HG LEU 26 -4.399 -5.817 4.306 223 1HD1 LEU 26 2HD1 LEU 26 -3.510 -6.954 1.928 224 2HD1 LEU 26 1HD1 LEU 26 -4.642 -5.711 1.397 225 3HD1 LEU 26 3HD1 LEU 26 -3.274 -5.279 2.421 226 1HD2 LEU 26 1HD2 LEU 26 -7.008 -6.409 3.547 227 2HD2 LEU 26 3HD2 LEU 26 -6.362 -4.789 3.816 228 3HD2 LEU 26 2HD2 LEU 26 -6.396 -5.468 2.187 229 HA PRO 27 HA PRO 27 -6.132 -11.939 6.332 230 1HB PRO 27 2HB PRO 27 -7.047 -13.416 4.200 231 2HB PRO 27 1HB PRO 27 -8.106 -12.521 5.308 232 1HG PRO 27 2HG PRO 27 -7.319 -11.851 2.511 233 2HG PRO 27 1HG PRO 27 -8.780 -11.396 3.403 234 1HD PRO 27 2HD PRO 27 -6.543 -9.737 2.924 235 2HD PRO 27 1HD PRO 27 -7.849 -9.416 4.084 236 H GLU 28 H GLU 28 -5.410 -14.268 5.135 237 HA GLU 28 HA GLU 28 -2.570 -13.871 4.627 238 1HB GLU 28 2HB GLU 28 -3.288 -15.810 5.904 239 2HB GLU 28 1HB GLU 28 -4.315 -16.349 4.572 240 1HG GLU 28 2HG GLU 28 -2.326 -17.647 4.390 241 2HG GLU 28 1HG GLU 28 -2.181 -16.400 3.152 242 H TYR 29 H TYR 29 -5.204 -15.358 2.695 243 HA TYR 29 HA TYR 29 -3.709 -15.734 0.337 244 1HB TYR 29 2HB TYR 29 -5.873 -15.757 -0.843 245 2HB TYR 29 1HB TYR 29 -5.966 -16.668 0.668 246 HD1 TYR 29 HD2 TYR 29 -6.495 -13.203 -0.668 247 HD2 TYR 29 HD1 TYR 29 -7.674 -16.191 2.182 248 HE1 TYR 29 HE2 TYR 29 -8.353 -11.745 0.091 249 HE2 TYR 29 HE1 TYR 29 -9.530 -14.733 2.944 250 HH TYR 29 HH TYR 29 -10.709 -12.873 2.493 251 H TYR 30 H TYR 30 -4.731 -12.821 1.775 252 HA TYR 30 HA TYR 30 -5.237 -10.997 -0.202 253 1HB TYR 30 2HB TYR 30 -5.028 -10.049 1.923 254 2HB TYR 30 1HB TYR 30 -3.491 -10.847 2.240 255 HD1 TYR 30 HD1 TYR 30 -4.866 -8.529 -0.389 256 HD2 TYR 30 HD2 TYR 30 -1.669 -9.417 2.339 257 HE1 TYR 30 HE1 TYR 30 -3.652 -6.505 -1.150 258 HE2 TYR 30 HE2 TYR 30 -0.455 -7.394 1.577 259 HH TYR 30 HH TYR 30 -0.820 -5.334 0.492 260 H GLY 31 H GLY 31 -4.097 -9.978 -1.851 261 1HA GLY 31 2HA GLY 31 -1.310 -10.956 -2.328 262 2HA GLY 31 1HA GLY 31 -2.482 -10.790 -3.642 263 H GLU 32 H GLU 32 0.114 -9.392 -3.271 264 HA GLU 32 HA GLU 32 -0.662 -6.611 -2.675 265 1HB GLU 32 2HB GLU 32 1.587 -7.570 -2.049 266 2HB GLU 32 1HB GLU 32 1.966 -7.642 -3.771 267 1HG GLU 32 2HG GLU 32 2.739 -5.529 -3.494 268 2HG GLU 32 1HG GLU 32 1.037 -5.066 -3.495 269 H ASN 33 H ASN 33 -1.685 -8.250 -5.071 270 HA ASN 33 HA ASN 33 -0.584 -6.745 -7.337 271 1HB ASN 33 2HB ASN 33 -3.010 -8.288 -7.814 272 2HB ASN 33 1HB ASN 33 -1.472 -8.348 -8.656 273 1HD2 ASN 33 2HD2 ASN 33 -2.185 -11.482 -6.516 274 2HD2 ASN 33 1HD2 ASN 33 -3.245 -10.583 -7.490 275 H LEU 34 H LEU 34 -2.142 -5.616 -8.831 276 HA LEU 34 HA LEU 34 -3.615 -3.643 -7.337 277 1HB LEU 34 2HB LEU 34 -4.098 -4.078 -10.266 278 2HB LEU 34 1HB LEU 34 -3.954 -2.565 -9.370 279 HG LEU 34 HG LEU 34 -1.740 -4.447 -10.206 280 1HD1 LEU 34 1HD1 LEU 34 -2.739 -2.435 -11.599 281 2HD1 LEU 34 3HD1 LEU 34 -1.766 -1.462 -10.496 282 3HD1 LEU 34 2HD1 LEU 34 -0.994 -2.677 -11.515 283 1HD2 LEU 34 1HD2 LEU 34 -1.943 -2.825 -7.809 284 2HD2 LEU 34 3HD2 LEU 34 -0.645 -3.910 -8.307 285 3HD2 LEU 34 2HD2 LEU 34 -0.649 -2.232 -8.850 286 H ASP 35 H ASP 35 -4.446 -6.777 -8.433 287 HA ASP 35 HA ASP 35 -7.307 -6.190 -8.675 288 1HB ASP 35 2HB ASP 35 -7.111 -8.919 -8.411 289 2HB ASP 35 1HB ASP 35 -7.151 -8.045 -9.937 290 H ALA 36 H ALA 36 -5.381 -8.264 -6.476 291 HA ALA 36 HA ALA 36 -7.577 -8.610 -4.644 292 1HB ALA 36 1HB ALA 36 -4.757 -9.432 -4.799 293 2HB ALA 36 3HB ALA 36 -5.373 -9.228 -3.158 294 3HB ALA 36 2HB ALA 36 -6.167 -10.347 -4.267 295 H LEU 37 H LEU 37 -4.618 -6.691 -4.435 296 HA LEU 37 HA LEU 37 -5.087 -5.559 -1.882 297 1HB LEU 37 2HB LEU 37 -2.967 -5.236 -3.018 298 2HB LEU 37 1HB LEU 37 -3.769 -4.326 -4.298 299 HG LEU 37 HG LEU 37 -4.589 -3.107 -1.896 300 1HD1 LEU 37 1HD1 LEU 37 -1.769 -4.098 -1.816 301 2HD1 LEU 37 3HD1 LEU 37 -2.073 -2.461 -1.237 302 3HD1 LEU 37 2HD1 LEU 37 -2.902 -3.827 -0.493 303 1HD2 LEU 37 1HD2 LEU 37 -3.715 -2.357 -4.357 304 2HD2 LEU 37 3HD2 LEU 37 -3.890 -1.235 -3.010 305 3HD2 LEU 37 2HD2 LEU 37 -2.310 -1.921 -3.384 306 H TRP 38 H TRP 38 -5.821 -4.110 -5.067 307 HA TRP 38 HA TRP 38 -7.336 -1.931 -4.057 308 1HB TRP 38 2HB TRP 38 -6.727 -1.862 -6.360 309 2HB TRP 38 1HB TRP 38 -7.351 -3.481 -6.623 310 HD1 TRP 38 HD1 TRP 38 -9.732 -3.754 -7.344 311 HE1 TRP 38 HE1 TRP 38 -11.694 -2.152 -7.847 312 HE3 TRP 38 HE3 TRP 38 -7.799 0.578 -5.503 313 HZ2 TRP 38 HZ2 TRP 38 -12.331 0.622 -7.515 314 HZ3 TRP 38 HZ3 TRP 38 -9.087 2.679 -5.616 315 HH2 TRP 38 HH2 TRP 38 -11.354 2.711 -6.613 316 H ASP 39 H ASP 39 -8.256 -5.170 -5.054 317 HA ASP 39 HA ASP 39 -11.017 -5.059 -4.644 318 1HB ASP 39 2HB ASP 39 -8.961 -7.170 -4.494 319 2HB ASP 39 1HB ASP 39 -10.416 -7.498 -3.548 320 H ALA 40 H ALA 40 -8.411 -5.169 -2.315 321 HA ALA 40 HA ALA 40 -10.256 -5.408 -0.036 322 1HB ALA 40 1HB ALA 40 -7.861 -6.292 -0.054 323 2HB ALA 40 3HB ALA 40 -7.345 -4.612 0.105 324 3HB ALA 40 2HB ALA 40 -8.336 -5.352 1.365 325 H LEU 41 H LEU 41 -7.814 -2.894 -0.825 326 HA LEU 41 HA LEU 41 -8.528 -0.864 0.794 327 1HB LEU 41 2HB LEU 41 -7.646 -0.886 -2.026 328 2HB LEU 41 1HB LEU 41 -8.314 0.633 -1.434 329 HG LEU 41 HG LEU 41 -6.349 -0.762 0.320 330 1HD1 LEU 41 3HD1 LEU 41 -5.390 -0.911 -1.981 331 2HD1 LEU 41 2HD1 LEU 41 -5.537 0.845 -2.117 332 3HD1 LEU 41 1HD1 LEU 41 -4.452 0.136 -0.913 333 1HD2 LEU 41 3HD2 LEU 41 -6.938 2.110 -0.435 334 2HD2 LEU 41 2HD2 LEU 41 -7.277 1.320 1.105 335 3HD2 LEU 41 1HD2 LEU 41 -5.604 1.637 0.626 336 H THR 42 H THR 42 -10.130 -1.237 -2.330 337 HA THR 42 HA THR 42 -12.321 0.502 -1.448 338 HB THR 42 HB THR 42 -11.892 0.748 -3.745 339 HG1 THR 42 HG1 THR 42 -13.986 0.568 -3.899 340 1HG2 THR 42 2HG2 THR 42 -11.570 -2.242 -3.706 341 2HG2 THR 42 1HG2 THR 42 -11.874 -1.397 -5.222 342 3HG2 THR 42 3HG2 THR 42 -10.435 -1.014 -4.275 343 H GLY 43 H GLY 43 -12.691 -1.096 0.440 344 1HA GLY 43 2HA GLY 43 -14.978 -2.222 0.799 345 2HA GLY 43 1HA GLY 43 -14.435 -3.348 -0.448 346 H TRP 44 H TRP 44 -12.251 -2.028 2.027 347 HA TRP 44 HA TRP 44 -12.507 -4.267 3.834 348 1HB TRP 44 2HB TRP 44 -11.491 -5.533 2.006 349 2HB TRP 44 1HB TRP 44 -10.193 -4.345 1.879 350 HD1 TRP 44 HD1 TRP 44 -8.841 -3.957 4.359 351 HE1 TRP 44 HE1 TRP 44 -7.998 -5.796 5.956 352 HE3 TRP 44 HE3 TRP 44 -11.721 -7.876 2.800 353 HZ2 TRP 44 HZ2 TRP 44 -8.484 -8.566 6.502 354 HZ3 TRP 44 HZ3 TRP 44 -11.512 -10.098 3.873 355 HH2 TRP 44 HH2 TRP 44 -9.897 -10.447 5.720 356 H VAL 45 H VAL 45 -10.470 -1.764 2.469 357 HA VAL 45 HA VAL 45 -8.821 -1.469 4.827 358 HB VAL 45 HB VAL 45 -9.198 -0.054 2.228 359 1HG1 VAL 45 3HG1 VAL 45 -7.699 1.049 4.603 360 2HG1 VAL 45 2HG1 VAL 45 -7.498 1.625 2.947 361 3HG1 VAL 45 1HG1 VAL 45 -9.056 1.790 3.756 362 1HG2 VAL 45 1HG2 VAL 45 -6.838 -1.241 3.705 363 2HG2 VAL 45 3HG2 VAL 45 -7.682 -1.961 2.336 364 3HG2 VAL 45 2HG2 VAL 45 -6.741 -0.486 2.116 365 H GLU 46 H GLU 46 -11.817 -0.089 3.744 366 HA GLU 46 HA GLU 46 -13.308 1.348 4.871 367 1HB GLU 46 2HB GLU 46 -12.302 -0.068 6.863 368 2HB GLU 46 1HB GLU 46 -11.465 1.438 7.235 369 1HG GLU 46 2HG GLU 46 -14.429 1.436 6.703 370 2HG GLU 46 1HG GLU 46 -13.809 1.026 8.302 371 H TYR 47 H TYR 47 -13.417 3.658 5.244 372 HA TYR 47 HA TYR 47 -10.842 5.135 5.126 373 1HB TYR 47 2HB TYR 47 -13.115 5.463 3.137 374 2HB TYR 47 1HB TYR 47 -11.655 6.449 3.181 375 HD1 TYR 47 HD2 TYR 47 -9.388 4.885 3.420 376 HD2 TYR 47 HD1 TYR 47 -13.102 3.766 1.549 377 HE1 TYR 47 HE2 TYR 47 -8.205 3.154 2.086 378 HE2 TYR 47 HE1 TYR 47 -11.903 2.049 0.218 379 HH TYR 47 HH TYR 47 -9.623 1.622 -0.577 380 HA PRO 48 HA PRO 48 -10.935 7.653 4.203 381 1HB PRO 48 2HB PRO 48 -9.744 9.541 5.801 382 2HB PRO 48 1HB PRO 48 -11.166 9.845 4.786 383 1HG PRO 48 2HG PRO 48 -11.019 9.427 7.746 384 2HG PRO 48 1HG PRO 48 -12.153 10.411 6.805 385 1HD PRO 48 2HD PRO 48 -12.750 7.901 7.864 386 2HD PRO 48 1HD PRO 48 -13.616 8.656 6.505 387 H LEU 49 H LEU 49 -8.761 7.146 3.981 388 HA LEU 49 HA LEU 49 -7.501 5.746 6.306 389 1HB LEU 49 2HB LEU 49 -7.866 4.085 4.674 390 2HB LEU 49 1HB LEU 49 -7.522 5.189 3.344 391 HG LEU 49 HG LEU 49 -5.112 5.271 4.239 392 1HD1 LEU 49 1HD1 LEU 49 -5.821 4.228 6.466 393 2HD1 LEU 49 3HD1 LEU 49 -5.962 2.702 5.594 394 3HD1 LEU 49 2HD1 LEU 49 -4.401 3.513 5.703 395 1HD2 LEU 49 1HD2 LEU 49 -6.510 3.198 2.731 396 2HD2 LEU 49 3HD2 LEU 49 -4.988 4.011 2.374 397 3HD2 LEU 49 2HD2 LEU 49 -5.015 2.617 3.456 398 H VAL 50 H VAL 50 -5.115 5.940 6.378 399 HA VAL 50 HA VAL 50 -4.134 8.438 5.055 400 HB VAL 50 HB VAL 50 -4.051 7.543 7.892 401 1HG1 VAL 50 1HG1 VAL 50 -1.617 8.426 6.417 402 2HG1 VAL 50 3HG1 VAL 50 -1.913 9.176 7.985 403 3HG1 VAL 50 2HG1 VAL 50 -1.757 7.425 7.862 404 1HG2 VAL 50 3HG2 VAL 50 -5.088 9.665 6.578 405 2HG2 VAL 50 2HG2 VAL 50 -4.616 9.726 8.277 406 3HG2 VAL 50 1HG2 VAL 50 -3.522 10.334 7.033 407 H LEU 51 H LEU 51 -3.063 7.383 3.344 408 HA LEU 51 HA LEU 51 -1.322 5.078 3.912 409 1HB LEU 51 2HB LEU 51 -2.608 5.194 1.802 410 2HB LEU 51 1HB LEU 51 -1.745 6.674 1.368 411 HG LEU 51 HG LEU 51 0.394 5.186 1.751 412 1HD1 LEU 51 1HD1 LEU 51 -1.557 3.292 2.277 413 2HD1 LEU 51 3HD1 LEU 51 -1.104 2.961 0.600 414 3HD1 LEU 51 2HD1 LEU 51 0.127 2.949 1.869 415 1HD2 LEU 51 1HD2 LEU 51 -0.994 6.056 -0.436 416 2HD2 LEU 51 3HD2 LEU 51 0.556 5.222 -0.503 417 3HD2 LEU 51 2HD2 LEU 51 -0.946 4.311 -0.708 418 H GLU 52 H GLU 52 -0.198 6.776 5.492 419 HA GLU 52 HA GLU 52 1.525 8.780 4.409 420 1HB GLU 52 2HB GLU 52 1.020 8.715 6.785 421 2HB GLU 52 1HB GLU 52 1.755 7.116 6.934 422 1HG GLU 52 2HG GLU 52 3.770 8.060 7.259 423 2HG GLU 52 1HG GLU 52 3.653 8.873 5.699 424 H TRP 53 H TRP 53 2.512 7.715 2.512 425 HA TRP 53 HA TRP 53 4.203 5.383 2.921 426 1HB TRP 53 2HB TRP 53 3.063 6.293 0.709 427 2HB TRP 53 1HB TRP 53 4.575 7.195 0.567 428 HD1 TRP 53 HD1 TRP 53 6.840 5.468 1.125 429 HE1 TRP 53 HE1 TRP 53 7.265 3.154 0.065 430 HE3 TRP 53 HE3 TRP 53 2.119 4.324 -0.407 431 HZ2 TRP 53 HZ2 TRP 53 5.782 1.097 -1.259 432 HZ3 TRP 53 HZ3 TRP 53 1.639 2.198 -1.564 433 HH2 TRP 53 HH2 TRP 53 3.469 0.573 -1.994 434 H ARG 54 H ARG 54 6.478 5.374 3.153 435 HA ARG 54 HA ARG 54 7.748 8.064 3.478 436 1HB ARG 54 2HB ARG 54 8.501 5.655 5.134 437 2HB ARG 54 1HB ARG 54 8.883 7.350 5.434 438 1HG ARG 54 2HG ARG 54 6.032 7.066 5.244 439 2HG ARG 54 1HG ARG 54 6.649 5.877 6.392 440 1HD ARG 54 2HD ARG 54 8.058 8.298 6.871 441 2HD ARG 54 1HD ARG 54 6.348 8.713 6.750 442 HE ARG 54 HE ARG 54 5.954 6.954 8.522 443 1HH1 ARG 54 1HH2 ARG 54 8.527 5.614 8.702 444 2HH1 ARG 54 2HH2 ARG 54 9.337 6.445 9.989 445 1HH2 ARG 54 2HH1 ARG 54 7.232 9.198 9.893 446 2HH2 ARG 54 1HH1 ARG 54 8.604 8.473 10.662 447 H GLN 55 H GLN 55 9.888 8.231 2.751 448 HA GLN 55 HA GLN 55 11.571 7.741 1.168 449 1HB GLN 55 2HB GLN 55 11.587 5.148 2.739 450 2HB GLN 55 1HB GLN 55 12.938 5.851 1.847 451 1HG GLN 55 2HG GLN 55 11.560 7.330 4.094 452 2HG GLN 55 1HG GLN 55 12.920 6.244 4.383 453 1HE2 GLN 55 2HE2 GLN 55 15.006 9.047 3.813 454 2HE2 GLN 55 1HE2 GLN 55 14.466 7.890 4.933 455 H PHE 56 H PHE 56 9.149 7.307 -0.060 456 HA PHE 56 HA PHE 56 8.464 4.793 -1.017 457 1HB PHE 56 2HB PHE 56 7.425 7.037 -1.654 458 2HB PHE 56 1HB PHE 56 8.716 7.191 -2.846 459 HD1 PHE 56 HD1 PHE 56 6.066 4.804 -1.700 460 HD2 PHE 56 HD2 PHE 56 8.463 6.223 -4.968 461 HE1 PHE 56 HE1 PHE 56 4.809 3.346 -3.252 462 HE2 PHE 56 HE2 PHE 56 7.204 4.766 -6.523 463 HZ PHE 56 HZ PHE 56 5.375 3.324 -5.668 464 H GLU 57 H GLU 57 11.360 6.623 -1.695 465 HA GLU 57 HA GLU 57 12.255 5.439 -4.079 466 1HB GLU 57 2HB GLU 57 13.843 6.218 -1.614 467 2HB GLU 57 1HB GLU 57 14.567 5.819 -3.173 468 1HG GLU 57 2HG GLU 57 12.625 8.079 -2.615 469 2HG GLU 57 1HG GLU 57 14.338 8.239 -3.007 470 H GLN 58 H GLN 58 13.945 4.402 -1.164 471 HA GLN 58 HA GLN 58 14.583 1.836 -2.036 472 1HB GLN 58 2HB GLN 58 14.353 1.280 0.549 473 2HB GLN 58 1HB GLN 58 15.630 2.347 -0.033 474 1HG GLN 58 2HG GLN 58 13.108 3.754 0.474 475 2HG GLN 58 1HG GLN 58 13.776 2.992 1.918 476 1HE2 GLN 58 2HE2 GLN 58 15.903 5.782 2.272 477 2HE2 GLN 58 1HE2 GLN 58 14.714 4.795 2.975 478 H SER 59 H SER 59 13.645 -0.277 -1.406 479 HA SER 59 HA SER 59 11.838 -1.748 -0.967 480 1HB SER 59 2HB SER 59 9.865 0.497 -0.875 481 2HB SER 59 1HB SER 59 9.902 -1.002 0.054 482 HG SER 59 HG SER 59 11.274 -0.122 1.438 483 H LYS 60 H LYS 60 11.184 1.074 -3.031 484 HA LYS 60 HA LYS 60 9.442 -0.462 -4.808 485 1HB LYS 60 2HB LYS 60 9.216 2.009 -4.312 486 2HB LYS 60 1HB LYS 60 10.664 2.258 -5.292 487 1HG LYS 60 2HG LYS 60 9.285 0.759 -7.026 488 2HG LYS 60 1HG LYS 60 7.920 1.437 -6.138 489 1HD LYS 60 2HD LYS 60 8.136 3.320 -7.352 490 2HD LYS 60 1HD LYS 60 9.697 3.585 -6.576 491 1HE LYS 60 2HE LYS 60 10.871 2.872 -8.396 492 2HE LYS 60 1HE LYS 60 9.711 1.595 -8.764 493 1HZ LYS 60 1HZ LYS 60 8.473 4.086 -9.139 494 2HZ LYS 60 3HZ LYS 60 9.951 4.096 -9.973 495 3HZ LYS 60 2HZ LYS 60 8.803 2.884 -10.294 496 H GLN 61 H GLN 61 12.853 0.407 -4.723 497 HA GLN 61 HA GLN 61 13.269 -0.189 -7.554 498 1HB GLN 61 2HB GLN 61 14.666 1.355 -5.945 499 2HB GLN 61 1HB GLN 61 15.497 -0.152 -5.558 500 1HG GLN 61 2HG GLN 61 16.375 -0.379 -7.685 501 2HG GLN 61 1HG GLN 61 15.046 0.500 -8.441 502 1HE2 GLN 61 2HE2 GLN 61 17.485 3.063 -6.405 503 2HE2 GLN 61 1HE2 GLN 61 16.720 1.782 -5.596 504 H LEU 62 H LEU 62 14.711 -1.636 -4.714 505 HA LEU 62 HA LEU 62 15.745 -3.957 -5.681 506 1HB LEU 62 2HB LEU 62 14.325 -4.827 -3.377 507 2HB LEU 62 1HB LEU 62 16.024 -4.377 -3.495 508 HG LEU 62 HG LEU 62 15.412 -2.006 -3.103 509 1HD1 LEU 62 1HD1 LEU 62 12.925 -2.696 -3.942 510 2HD1 LEU 62 3HD1 LEU 62 12.687 -2.757 -2.204 511 3HD1 LEU 62 2HD1 LEU 62 13.244 -1.267 -2.967 512 1HD2 LEU 62 3HD2 LEU 62 14.541 -4.098 -1.116 513 2HD2 LEU 62 2HD2 LEU 62 16.026 -3.147 -1.128 514 3HD2 LEU 62 1HD2 LEU 62 14.490 -2.379 -0.726 515 H THR 63 H THR 63 12.345 -3.266 -5.510 516 HA THR 63 HA THR 63 11.686 -6.056 -6.260 517 HB THR 63 HB THR 63 10.368 -4.775 -4.494 518 HG1 THR 63 HG1 THR 63 9.552 -6.594 -5.637 519 1HG2 THR 63 3HG2 THR 63 10.198 -2.914 -6.669 520 2HG2 THR 63 2HG2 THR 63 8.575 -3.454 -6.242 521 3HG2 THR 63 1HG2 THR 63 9.614 -2.731 -5.016 522 H GLU 64 H GLU 64 9.228 -4.807 -7.676 523 HA GLU 64 HA GLU 64 10.376 -3.481 -10.004 524 1HB GLU 64 2HB GLU 64 9.407 -5.453 -11.475 525 2HB GLU 64 1HB GLU 64 11.043 -5.556 -10.824 526 1HG GLU 64 2HG GLU 64 8.896 -6.532 -9.030 527 2HG GLU 64 1HG GLU 64 9.172 -7.499 -10.479 528 H ASN 65 H ASN 65 8.705 -1.968 -9.431 529 HA ASN 65 HA ASN 65 6.595 -1.031 -9.934 530 1HB ASN 65 2HB ASN 65 6.672 -2.792 -11.845 531 2HB ASN 65 1HB ASN 65 5.629 -3.751 -10.796 532 1HD2 ASN 65 2HD2 ASN 65 2.886 -2.018 -12.188 533 2HD2 ASN 65 1HD2 ASN 65 3.640 -3.517 -11.933 534 H GLY 66 H GLY 66 7.386 -3.174 -7.633 535 1HA GLY 66 2HA GLY 66 4.927 -4.128 -6.572 536 2HA GLY 66 1HA GLY 66 6.378 -3.814 -5.613 537 H ALA 67 H ALA 67 6.775 -1.362 -5.234 538 HA ALA 67 HA ALA 67 4.590 -0.282 -3.772 539 1HB ALA 67 1HB ALA 67 7.237 0.330 -3.973 540 2HB ALA 67 3HB ALA 67 6.528 1.667 -4.878 541 3HB ALA 67 2HB ALA 67 6.048 1.383 -3.205 542 H GLU 68 H GLU 68 5.703 0.410 -7.086 543 HA GLU 68 HA GLU 68 3.921 2.532 -7.630 544 1HB GLU 68 2HB GLU 68 5.844 1.738 -9.084 545 2HB GLU 68 1HB GLU 68 4.787 0.436 -9.630 546 1HG GLU 68 2HG GLU 68 3.132 2.108 -10.397 547 2HG GLU 68 1HG GLU 68 4.209 3.403 -9.876 548 H SER 69 H SER 69 3.405 -0.916 -7.448 549 HA SER 69 HA SER 69 0.827 -0.827 -8.816 550 1HB SER 69 2HB SER 69 1.046 -3.080 -8.823 551 2HB SER 69 1HB SER 69 2.626 -2.847 -8.086 552 HG SER 69 HG SER 69 0.138 -3.149 -6.744 553 H VAL 70 H VAL 70 1.767 -1.398 -5.379 554 HA VAL 70 HA VAL 70 -0.876 -1.301 -4.400 555 HB VAL 70 HB VAL 70 1.689 -0.360 -3.066 556 1HG1 VAL 70 2HG1 VAL 70 -1.107 -0.737 -1.970 557 2HG1 VAL 70 1HG1 VAL 70 0.327 -0.615 -0.951 558 3HG1 VAL 70 3HG1 VAL 70 -0.150 0.745 -1.968 559 1HG2 VAL 70 2HG2 VAL 70 1.023 -2.897 -3.759 560 2HG2 VAL 70 1HG2 VAL 70 1.960 -2.511 -2.316 561 3HG2 VAL 70 3HG2 VAL 70 0.223 -2.791 -2.191 562 H LEU 71 H LEU 71 1.245 1.107 -5.679 563 HA LEU 71 HA LEU 71 -0.307 3.262 -4.522 564 1HB LEU 71 2HB LEU 71 2.208 3.062 -5.845 565 2HB LEU 71 1HB LEU 71 1.211 4.202 -6.743 566 HG LEU 71 HG LEU 71 1.924 5.710 -5.216 567 1HD1 LEU 71 3HD1 LEU 71 -0.477 5.121 -4.450 568 2HD1 LEU 71 2HD1 LEU 71 0.327 4.348 -3.080 569 3HD1 LEU 71 1HD1 LEU 71 0.543 6.075 -3.369 570 1HD2 LEU 71 2HD2 LEU 71 3.181 3.409 -4.245 571 2HD2 LEU 71 1HD2 LEU 71 3.561 5.081 -3.822 572 3HD2 LEU 71 3HD2 LEU 71 2.423 4.158 -2.839 573 H GLN 72 H GLN 72 -0.143 1.539 -7.588 574 HA GLN 72 HA GLN 72 -1.863 3.313 -9.033 575 1HB GLN 72 2HB GLN 72 -1.153 0.412 -9.247 576 2HB GLN 72 1HB GLN 72 -2.557 0.989 -10.145 577 1HG GLN 72 2HG GLN 72 -0.570 2.925 -10.581 578 2HG GLN 72 1HG GLN 72 0.261 1.374 -10.719 579 1HE2 GLN 72 2HE2 GLN 72 -1.745 0.309 -13.539 580 2HE2 GLN 72 1HE2 GLN 72 -0.981 -0.301 -12.152 581 H VAL 73 H VAL 73 -2.403 0.817 -6.693 582 HA VAL 73 HA VAL 73 -5.319 0.837 -6.951 583 HB VAL 73 HB VAL 73 -3.414 -0.438 -4.984 584 1HG1 VAL 73 3HG1 VAL 73 -6.433 -0.539 -5.148 585 2HG1 VAL 73 2HG1 VAL 73 -5.474 -1.721 -4.270 586 3HG1 VAL 73 1HG1 VAL 73 -5.456 -0.030 -3.774 587 1HG2 VAL 73 1HG2 VAL 73 -4.543 -1.087 -7.574 588 2HG2 VAL 73 3HG2 VAL 73 -3.266 -1.913 -6.676 589 3HG2 VAL 73 2HG2 VAL 73 -4.961 -2.317 -6.376 590 H PHE 74 H PHE 74 -3.150 1.689 -4.209 591 HA PHE 74 HA PHE 74 -5.006 2.853 -2.539 592 1HB PHE 74 2HB PHE 74 -2.104 3.241 -3.070 593 2HB PHE 74 1HB PHE 74 -2.920 4.499 -2.163 594 HD1 PHE 74 HD1 PHE 74 -1.988 0.956 -2.209 595 HD2 PHE 74 HD2 PHE 74 -3.812 4.087 0.067 596 HE1 PHE 74 HE1 PHE 74 -1.866 -0.459 -0.197 597 HE2 PHE 74 HE2 PHE 74 -3.714 2.668 2.080 598 HZ PHE 74 HZ PHE 74 -2.757 0.409 1.946 599 H ARG 75 H ARG 75 -3.079 4.369 -5.087 600 HA ARG 75 HA ARG 75 -4.319 6.926 -4.986 601 1HB ARG 75 2HB ARG 75 -2.970 5.433 -7.254 602 2HB ARG 75 1HB ARG 75 -3.523 7.102 -7.396 603 1HG ARG 75 2HG ARG 75 -1.938 7.904 -5.905 604 2HG ARG 75 1HG ARG 75 -1.801 6.361 -5.060 605 1HD ARG 75 2HD ARG 75 0.033 5.922 -6.290 606 2HD ARG 75 1HD ARG 75 -1.004 5.846 -7.714 607 HE ARG 75 HE ARG 75 -0.112 8.541 -6.902 608 1HH1 ARG 75 1HH2 ARG 75 -1.078 7.376 -9.638 609 2HH1 ARG 75 2HH2 ARG 75 0.397 7.487 -10.540 610 1HH2 ARG 75 2HH1 ARG 75 2.380 7.994 -7.741 611 2HH2 ARG 75 1HH1 ARG 75 2.355 7.835 -9.466 612 H GLU 76 H GLU 76 -5.105 3.990 -6.948 613 HA GLU 76 HA GLU 76 -7.273 5.163 -8.397 614 1HB GLU 76 2HB GLU 76 -6.428 2.426 -7.660 615 2HB GLU 76 1HB GLU 76 -8.156 2.611 -7.980 616 1HG GLU 76 2HG GLU 76 -7.520 3.818 -10.113 617 2HG GLU 76 1HG GLU 76 -5.859 3.301 -9.821 618 H ALA 77 H ALA 77 -6.953 4.270 -5.100 619 HA ALA 77 HA ALA 77 -9.814 4.102 -4.543 620 1HB ALA 77 2HB ALA 77 -8.067 2.822 -3.263 621 2HB ALA 77 1HB ALA 77 -7.454 4.353 -2.641 622 3HB ALA 77 3HB ALA 77 -9.080 3.820 -2.220 623 H LYS 78 H LYS 78 -7.227 6.404 -3.559 624 HA LYS 78 HA LYS 78 -9.036 8.347 -2.527 625 1HB LYS 78 2HB LYS 78 -7.125 9.778 -2.477 626 2HB LYS 78 1HB LYS 78 -6.522 8.162 -2.144 627 1HG LYS 78 2HG LYS 78 -5.151 8.305 -3.918 628 2HG LYS 78 1HG LYS 78 -6.543 8.532 -4.978 629 1HD LYS 78 2HD LYS 78 -5.266 10.483 -5.327 630 2HD LYS 78 1HD LYS 78 -6.492 10.996 -4.165 631 1HE LYS 78 2HE LYS 78 -4.837 10.454 -2.327 632 2HE LYS 78 1HE LYS 78 -3.621 10.227 -3.584 633 1HZ LYS 78 1HZ LYS 78 -5.221 12.700 -3.471 634 2HZ LYS 78 3HZ LYS 78 -3.847 12.521 -2.494 635 3HZ LYS 78 2HZ LYS 78 -3.701 12.442 -4.185 636 H ALA 79 H ALA 79 -8.356 7.335 -5.700 637 HA ALA 79 HA ALA 79 -9.051 9.911 -6.975 638 1HB ALA 79 3HB ALA 79 -7.474 7.793 -7.768 639 2HB ALA 79 2HB ALA 79 -8.976 7.477 -8.639 640 3HB ALA 79 1HB ALA 79 -8.130 9.013 -8.858 641 H GLU 80 H GLU 80 -10.160 6.609 -7.555 642 HA GLU 80 HA GLU 80 -12.594 7.147 -8.731 643 1HB GLU 80 2HB GLU 80 -12.106 4.917 -6.742 644 2HB GLU 80 1HB GLU 80 -13.282 4.940 -8.053 645 1HG GLU 80 2HG GLU 80 -10.579 5.515 -8.988 646 2HG GLU 80 1HG GLU 80 -10.710 3.928 -8.230 647 H GLY 81 H GLY 81 -12.273 6.426 -5.199 648 1HA GLY 81 2HA GLY 81 -14.139 8.605 -4.603 649 2HA GLY 81 1HA GLY 81 -14.869 7.008 -4.424 650 H ALA 82 H ALA 82 -12.440 5.712 -3.475 651 HA ALA 82 HA ALA 82 -12.698 5.810 -0.751 652 1HB ALA 82 2HB ALA 82 -10.737 4.832 -2.559 653 2HB ALA 82 1HB ALA 82 -9.882 5.671 -1.263 654 3HB ALA 82 3HB ALA 82 -10.995 4.356 -0.881 655 H ASP 83 H ASP 83 -11.730 6.968 0.969 656 HA ASP 83 HA ASP 83 -10.714 9.674 0.211 657 1HB ASP 83 2HB ASP 83 -12.588 8.715 2.253 658 2HB ASP 83 1HB ASP 83 -11.314 9.732 2.928 659 H ILE 84 H ILE 84 -8.810 7.942 -0.067 660 HA ILE 84 HA ILE 84 -7.411 7.410 2.474 661 HB ILE 84 HB ILE 84 -6.868 6.730 -0.418 662 1HG1 ILE 84 2HG1 ILE 84 -7.060 4.647 1.645 663 2HG1 ILE 84 1HG1 ILE 84 -8.545 5.568 1.385 664 1HG2 ILE 84 2HG2 ILE 84 -4.743 7.145 0.881 665 2HG2 ILE 84 1HG2 ILE 84 -5.250 5.869 1.991 666 3HG2 ILE 84 3HG2 ILE 84 -4.924 5.494 0.297 667 1HD1 ILE 84 1HD1 ILE 84 -8.065 5.221 -1.130 668 2HD1 ILE 84 3HD1 ILE 84 -6.963 3.952 -0.600 669 3HD1 ILE 84 2HD1 ILE 84 -8.680 3.848 -0.219 670 H THR 85 H THR 85 -5.172 8.088 2.750 671 HA THR 85 HA THR 85 -4.619 10.709 1.433 672 HB THR 85 HB THR 85 -3.102 9.943 3.865 673 HG1 THR 85 HG1 THR 85 -5.081 10.781 5.033 674 1HG2 THR 85 2HG2 THR 85 -4.429 12.388 2.715 675 2HG2 THR 85 1HG2 THR 85 -3.895 12.363 4.396 676 3HG2 THR 85 3HG2 THR 85 -2.726 12.130 3.095 677 H ILE 86 H ILE 86 -3.576 9.719 -0.391 678 HA ILE 86 HA ILE 86 -1.405 7.829 -0.028 679 HB ILE 86 HB ILE 86 -2.770 9.159 -2.281 680 1HG1 ILE 86 2HG1 ILE 86 -2.635 6.978 -3.243 681 2HG1 ILE 86 1HG1 ILE 86 -1.292 6.521 -2.199 682 1HG2 ILE 86 1HG2 ILE 86 0.205 8.690 -2.325 683 2HG2 ILE 86 3HG2 ILE 86 -0.749 8.487 -3.795 684 3HG2 ILE 86 2HG2 ILE 86 -0.710 10.049 -2.977 685 1HD1 ILE 86 2HD1 ILE 86 -3.431 7.309 -0.494 686 2HD1 ILE 86 1HD1 ILE 86 -4.110 6.240 -1.722 687 3HD1 ILE 86 3HD1 ILE 86 -2.770 5.682 -0.716 688 H ILE 87 H ILE 87 0.112 8.746 1.351 689 HA ILE 87 HA ILE 87 1.206 11.419 0.729 690 HB ILE 87 HB ILE 87 2.235 9.532 2.848 691 1HG1 ILE 87 2HG1 ILE 87 -0.164 9.583 3.182 692 2HG1 ILE 87 1HG1 ILE 87 0.569 10.657 4.373 693 1HG2 ILE 87 3HG2 ILE 87 2.070 12.550 2.584 694 2HG2 ILE 87 2HG2 ILE 87 2.695 11.698 3.996 695 3HG2 ILE 87 1HG2 ILE 87 3.530 11.567 2.447 696 1HD1 ILE 87 1HD1 ILE 87 0.166 12.275 2.126 697 2HD1 ILE 87 3HD1 ILE 87 -1.294 11.291 2.232 698 3HD1 ILE 87 2HD1 ILE 87 -0.795 12.279 3.605 699 H LEU 88 H LEU 88 2.634 11.434 -0.953 700 HA LEU 88 HA LEU 88 4.811 9.386 -0.905 701 1HB LEU 88 2HB LEU 88 3.029 10.226 -3.160 702 2HB LEU 88 1HB LEU 88 4.709 9.835 -3.526 703 HG LEU 88 HG LEU 88 2.910 8.007 -1.918 704 1HD1 LEU 88 1HD1 LEU 88 2.541 8.620 -4.586 705 2HD1 LEU 88 3HD1 LEU 88 3.594 7.207 -4.662 706 3HD1 LEU 88 2HD1 LEU 88 2.049 7.111 -3.816 707 1HD2 LEU 88 3HD2 LEU 88 5.707 8.069 -2.552 708 2HD2 LEU 88 2HD2 LEU 88 4.823 6.853 -1.630 709 3HD2 LEU 88 1HD2 LEU 88 4.979 6.692 -3.380 710 H SER 89 HN SER 89 5.979 11.133 0.244 711 HA SER 89 HA SER 89 7.614 12.683 -1.541 712 1HB SER 89 2HB SER 89 5.239 13.920 -1.212 713 2HB SER 89 1HB SER 89 6.081 14.538 0.211 714 HG SER 89 HG SER 89 6.659 15.910 -1.372 No H/Q in entry = 714 Start of MODEL 22 1 1H LYS 1 1H LYS 1 -8.463 5.506 8.267 2 2H LYS 1 3H LYS 1 -8.693 3.843 8.025 3 3H LYS 1 2H LYS 1 -9.391 4.609 9.372 4 HA LYS 1 HA LYS 1 -7.462 4.687 10.540 5 1HB LYS 1 2HB LYS 1 -7.391 2.344 8.656 6 2HB LYS 1 1HB LYS 1 -6.066 2.590 9.794 7 1HG LYS 1 2HG LYS 1 -7.387 1.428 11.237 8 2HG LYS 1 1HG LYS 1 -8.236 2.963 11.419 9 1HD LYS 1 2HD LYS 1 -9.890 2.343 9.798 10 2HD LYS 1 1HD LYS 1 -8.954 0.938 9.288 11 1HE LYS 1 2HE LYS 1 -9.708 -0.335 11.008 12 2HE LYS 1 1HE LYS 1 -9.552 0.983 12.169 13 1HZ LYS 1 1HZ LYS 1 -11.645 1.292 10.185 14 2HZ LYS 1 3HZ LYS 1 -11.888 0.045 11.309 15 3HZ LYS 1 2HZ LYS 1 -11.660 1.640 11.847 16 H LYS 2 H LYS 2 -4.881 4.303 10.267 17 HA LYS 2 HA LYS 2 -4.081 5.947 7.906 18 1HB LYS 2 2HB LYS 2 -2.709 7.298 9.205 19 2HB LYS 2 1HB LYS 2 -4.034 6.996 10.324 20 1HG LYS 2 2HG LYS 2 -2.701 5.084 11.275 21 2HG LYS 2 1HG LYS 2 -1.352 5.586 10.254 22 1HD LYS 2 2HD LYS 2 -2.718 7.484 12.171 23 2HD LYS 2 1HD LYS 2 -1.342 6.488 12.649 24 1HE LYS 2 2HE LYS 2 -0.055 8.175 11.855 25 2HE LYS 2 1HE LYS 2 -0.497 7.583 10.253 26 1HZ LYS 2 1HZ LYS 2 -2.042 9.598 11.792 27 2HZ LYS 2 3HZ LYS 2 -0.940 9.969 10.557 28 3HZ LYS 2 2HZ LYS 2 -2.347 9.085 10.201 29 H ALA 3 H ALA 3 -3.011 4.622 6.555 30 HA ALA 3 HA ALA 3 -1.452 2.354 7.601 31 1HB ALA 3 3HB ALA 3 -2.255 3.310 4.860 32 2HB ALA 3 2HB ALA 3 -0.970 2.116 5.041 33 3HB ALA 3 1HB ALA 3 -2.593 1.761 5.632 34 H VAL 4 H VAL 4 0.847 2.119 7.075 35 HA VAL 4 HA VAL 4 2.218 4.629 6.287 36 HB VAL 4 HB VAL 4 2.656 3.126 8.878 37 1HG1 VAL 4 1HG1 VAL 4 4.498 4.794 7.240 38 2HG1 VAL 4 3HG1 VAL 4 4.476 5.117 8.973 39 3HG1 VAL 4 2HG1 VAL 4 4.867 3.501 8.383 40 1HG2 VAL 4 3HG2 VAL 4 1.447 5.673 8.061 41 2HG2 VAL 4 2HG2 VAL 4 1.274 4.785 9.574 42 3HG2 VAL 4 1HG2 VAL 4 2.653 5.859 9.335 43 H ILE 5 H ILE 5 3.930 4.223 5.000 44 HA ILE 5 HA ILE 5 4.753 1.379 4.655 45 HB ILE 5 HB ILE 5 5.318 3.731 2.840 46 1HG1 ILE 5 2HG1 ILE 5 2.815 3.093 3.402 47 2HG1 ILE 5 1HG1 ILE 5 3.292 3.405 1.744 48 1HG2 ILE 5 2HG2 ILE 5 5.940 0.874 2.826 49 2HG2 ILE 5 1HG2 ILE 5 5.135 1.400 1.348 50 3HG2 ILE 5 3HG2 ILE 5 6.629 2.182 1.863 51 1HD1 ILE 5 3HD1 ILE 5 3.689 0.613 2.544 52 2HD1 ILE 5 2HD1 ILE 5 2.006 1.133 2.626 53 3HD1 ILE 5 1HD1 ILE 5 2.898 1.272 1.110 54 H ASN 6 H ASN 6 6.932 0.821 4.968 55 HA ASN 6 HA ASN 6 8.776 3.066 5.642 56 1HB ASN 6 2HB ASN 6 8.980 0.498 7.172 57 2HB ASN 6 1HB ASN 6 9.425 2.135 7.665 58 1HD2 ASN 6 2HD2 ASN 6 6.085 0.925 9.171 59 2HD2 ASN 6 1HD2 ASN 6 7.536 0.071 8.946 60 H GLY 7 H GLY 7 10.306 2.956 4.078 61 1HA GLY 7 2HA GLY 7 10.986 0.414 2.801 62 2HA GLY 7 1HA GLY 7 11.687 1.990 2.415 63 H GLU 8 H GLU 8 11.734 1.486 5.744 64 HA GLU 8 HA GLU 8 14.616 0.857 5.612 65 1HB GLU 8 2HB GLU 8 13.958 1.299 8.289 66 2HB GLU 8 1HB GLU 8 14.727 2.449 7.201 67 1HG GLU 8 2HG GLU 8 12.460 3.173 6.458 68 2HG GLU 8 1HG GLU 8 11.762 2.117 7.686 69 H GLN 9 H GLN 9 11.601 -0.502 6.429 70 HA GLN 9 HA GLN 9 12.948 -2.793 7.781 71 1HB GLN 9 2HB GLN 9 11.200 -1.644 9.133 72 2HB GLN 9 1HB GLN 9 10.025 -1.996 7.866 73 1HG GLN 9 2HG GLN 9 9.835 -3.692 9.601 74 2HG GLN 9 1HG GLN 9 10.518 -4.432 8.154 75 1HE2 GLN 9 2HE2 GLN 9 12.687 -4.358 11.568 76 2HE2 GLN 9 1HE2 GLN 9 11.098 -3.766 11.507 77 H ILE 10 H ILE 10 11.162 -1.758 5.060 78 HA ILE 10 HA ILE 10 10.263 -4.424 4.257 79 HB ILE 10 HB ILE 10 10.423 -1.854 2.658 80 1HG1 ILE 10 2HG1 ILE 10 8.990 -1.902 4.802 81 2HG1 ILE 10 1HG1 ILE 10 8.174 -1.433 3.312 82 1HG2 ILE 10 2HG2 ILE 10 9.094 -4.528 2.184 83 2HG2 ILE 10 1HG2 ILE 10 8.588 -3.063 1.341 84 3HG2 ILE 10 3HG2 ILE 10 10.229 -3.678 1.136 85 1HD1 ILE 10 3HD1 ILE 10 7.434 -3.817 3.046 86 2HD1 ILE 10 2HD1 ILE 10 8.123 -4.160 4.632 87 3HD1 ILE 10 1HD1 ILE 10 6.775 -3.033 4.480 88 H ARG 11 H ARG 11 11.880 -5.829 3.776 89 HA ARG 11 HA ARG 11 14.419 -5.003 2.613 90 1HB ARG 11 2HB ARG 11 13.602 -7.839 2.309 91 2HB ARG 11 1HB ARG 11 15.088 -7.163 2.979 92 1HG ARG 11 2HG ARG 11 13.664 -6.442 4.987 93 2HG ARG 11 1HG ARG 11 12.418 -7.510 4.335 94 1HD ARG 11 2HD ARG 11 14.144 -9.361 4.321 95 2HD ARG 11 1HD ARG 11 15.214 -8.279 5.213 96 HE ARG 11 HE ARG 11 12.601 -8.556 6.470 97 1HH1 ARG 11 1HH2 ARG 11 15.071 -10.727 5.738 98 2HH1 ARG 11 2HH2 ARG 11 15.364 -11.210 7.376 99 1HH2 ARG 11 2HH1 ARG 11 13.260 -8.813 8.737 100 2HH2 ARG 11 1HH1 ARG 11 14.340 -10.125 9.074 101 H SER 12 H SER 12 11.504 -6.635 1.446 102 HA SER 12 HA SER 12 12.240 -5.790 -1.321 103 1HB SER 12 2HB SER 12 12.381 -8.450 -0.402 104 2HB SER 12 1HB SER 12 10.901 -8.355 -1.353 105 HG SER 12 HG SER 12 13.425 -8.430 -2.195 106 H ILE 13 H ILE 13 10.258 -6.097 -2.808 107 HA ILE 13 HA ILE 13 8.071 -4.607 -1.842 108 HB ILE 13 HB ILE 13 8.512 -4.963 -4.244 109 1HG1 ILE 13 2HG1 ILE 13 6.177 -5.330 -4.943 110 2HG1 ILE 13 1HG1 ILE 13 5.805 -6.020 -3.362 111 1HG2 ILE 13 2HG2 ILE 13 8.572 -7.683 -3.437 112 2HG2 ILE 13 1HG2 ILE 13 7.215 -7.513 -4.549 113 3HG2 ILE 13 3HG2 ILE 13 8.835 -7.036 -5.057 114 1HD1 ILE 13 3HD1 ILE 13 7.086 -3.479 -2.983 115 2HD1 ILE 13 2HD1 ILE 13 5.752 -3.281 -4.117 116 3HD1 ILE 13 1HD1 ILE 13 5.456 -3.965 -2.520 117 H SER 14 H SER 14 8.736 -8.034 -1.597 118 HA SER 14 HA SER 14 6.122 -8.993 -1.044 119 1HB SER 14 2HB SER 14 8.453 -10.079 0.487 120 2HB SER 14 1HB SER 14 7.150 -10.942 -0.327 121 HG SER 14 HG SER 14 8.240 -9.809 -2.275 122 H ASP 15 H ASP 15 8.597 -7.670 1.165 123 HA ASP 15 HA ASP 15 6.990 -7.938 3.529 124 1HB ASP 15 2HB ASP 15 9.550 -6.748 2.763 125 2HB ASP 15 1HB ASP 15 8.705 -5.817 3.994 126 H LEU 16 H LEU 16 6.945 -5.775 0.897 127 HA LEU 16 HA LEU 16 5.785 -3.484 2.243 128 1HB LEU 16 2HB LEU 16 6.931 -3.517 -0.047 129 2HB LEU 16 1HB LEU 16 5.450 -4.233 -0.669 130 HG LEU 16 HG LEU 16 4.451 -2.214 -0.775 131 1HD1 LEU 16 1HD1 LEU 16 5.446 -1.665 2.040 132 2HD1 LEU 16 3HD1 LEU 16 4.283 -0.676 1.158 133 3HD1 LEU 16 2HD1 LEU 16 3.869 -2.330 1.613 134 1HD2 LEU 16 3HD2 LEU 16 7.287 -1.687 -0.425 135 2HD2 LEU 16 2HD2 LEU 16 6.139 -0.939 -1.536 136 3HD2 LEU 16 1HD2 LEU 16 6.301 -0.328 0.111 137 H HIS 17 H HIS 17 4.343 -5.810 -0.052 138 HA HIS 17 HA HIS 17 1.661 -5.186 0.362 139 1HB HIS 17 2HB HIS 17 2.959 -7.878 -0.108 140 2HB HIS 17 1HB HIS 17 1.213 -7.614 -0.189 141 HD1 HIS 17 HD1 HIS 17 0.296 -6.635 -2.329 142 HD2 HIS 17 HD2 HIS 17 4.446 -6.314 -2.106 143 HE1 HIS 17 HE1 HIS 17 1.071 -5.772 -4.580 144 H GLN 18 H GLN 18 3.880 -6.810 2.433 145 HA GLN 18 HA GLN 18 1.928 -7.942 4.235 146 1HB GLN 18 2HB GLN 18 4.854 -7.265 4.589 147 2HB GLN 18 1HB GLN 18 3.889 -8.083 5.817 148 1HG GLN 18 2HG GLN 18 3.284 -9.744 3.903 149 2HG GLN 18 1HG GLN 18 4.699 -9.074 3.092 150 1HE2 GLN 18 2HE2 GLN 18 5.194 -11.450 6.388 151 2HE2 GLN 18 1HE2 GLN 18 3.650 -10.873 5.982 152 H THR 19 H THR 19 4.047 -5.144 4.465 153 HA THR 19 HA THR 19 3.082 -3.994 6.844 154 HB THR 19 HB THR 19 4.214 -2.753 4.331 155 HG1 THR 19 HG1 THR 19 5.495 -4.030 5.838 156 1HG2 THR 19 3HG2 THR 19 2.764 -1.439 6.458 157 2HG2 THR 19 2HG2 THR 19 4.450 -0.923 6.456 158 3HG2 THR 19 1HG2 THR 19 3.471 -0.741 5.001 159 H LEU 20 H LEU 20 1.708 -3.956 3.641 160 HA LEU 20 HA LEU 20 -0.361 -1.992 4.348 161 1HB LEU 20 2HB LEU 20 -0.702 -3.944 2.087 162 2HB LEU 20 1HB LEU 20 -1.183 -2.248 2.171 163 HG LEU 20 HG LEU 20 1.675 -3.215 2.044 164 1HD1 LEU 20 1HD1 LEU 20 -0.178 -2.139 -0.085 165 2HD1 LEU 20 3HD1 LEU 20 1.578 -2.185 -0.273 166 3HD1 LEU 20 2HD1 LEU 20 0.667 -3.686 -0.079 167 1HD2 LEU 20 2HD2 LEU 20 1.100 -0.988 3.186 168 2HD2 LEU 20 1HD2 LEU 20 2.266 -0.910 1.863 169 3HD2 LEU 20 3HD2 LEU 20 0.589 -0.433 1.590 170 H LYS 21 H LYS 21 0.082 -5.439 4.169 171 HA LYS 21 HA LYS 21 -2.624 -6.229 4.770 172 1HB LYS 21 2HB LYS 21 -1.120 -7.880 3.897 173 2HB LYS 21 1HB LYS 21 0.064 -7.561 5.169 174 1HG LYS 21 2HG LYS 21 -1.114 -8.752 6.751 175 2HG LYS 21 1HG LYS 21 -2.676 -8.370 6.025 176 1HD LYS 21 2HD LYS 21 -2.492 -10.059 4.415 177 2HD LYS 21 1HD LYS 21 -0.734 -10.131 4.552 178 1HE LYS 21 2HE LYS 21 -2.146 -10.741 7.061 179 2HE LYS 21 1HE LYS 21 -2.475 -11.887 5.762 180 1HZ LYS 21 3HZ LYS 21 0.275 -11.027 6.423 181 2HZ LYS 21 2HZ LYS 21 -0.466 -12.335 7.216 182 3HZ LYS 21 1HZ LYS 21 -0.219 -12.385 5.535 183 H LYS 22 H LYS 22 -0.071 -4.878 6.646 184 HA LYS 22 HA LYS 22 -1.169 -5.798 9.231 185 1HB LYS 22 2HB LYS 22 0.870 -3.628 9.168 186 2HB LYS 22 1HB LYS 22 0.804 -5.076 10.175 187 1HG LYS 22 2HG LYS 22 1.615 -4.892 7.287 188 2HG LYS 22 1HG LYS 22 2.675 -5.239 8.645 189 1HD LYS 22 2HD LYS 22 0.300 -6.989 7.975 190 2HD LYS 22 1HD LYS 22 1.901 -7.272 7.291 191 1HE LYS 22 2HE LYS 22 1.971 -6.843 10.185 192 2HE LYS 22 1HE LYS 22 0.995 -8.239 9.728 193 1HZ LYS 22 2HZ LYS 22 3.667 -7.803 8.555 194 2HZ LYS 22 1HZ LYS 22 3.492 -8.569 10.062 195 3HZ LYS 22 3HZ LYS 22 2.781 -9.248 8.679 196 H GLU 23 H GLU 23 -0.608 -2.688 7.582 197 HA GLU 23 HA GLU 23 -2.083 -1.142 9.506 198 1HB GLU 23 2HB GLU 23 -1.465 -0.548 6.605 199 2HB GLU 23 1HB GLU 23 -2.061 0.628 7.776 200 1HG GLU 23 2HG GLU 23 0.348 -0.920 8.574 201 2HG GLU 23 1HG GLU 23 0.571 0.264 7.286 202 H LEU 24 H LEU 24 -2.925 -2.124 6.239 203 HA LEU 24 HA LEU 24 -5.679 -1.370 6.407 204 1HB LEU 24 2HB LEU 24 -4.583 -3.574 4.647 205 2HB LEU 24 1HB LEU 24 -5.944 -2.499 4.322 206 HG LEU 24 HG LEU 24 -3.206 -1.335 4.751 207 1HD1 LEU 24 2HD1 LEU 24 -4.249 -2.701 2.279 208 2HD1 LEU 24 1HD1 LEU 24 -3.041 -1.419 2.189 209 3HD1 LEU 24 3HD1 LEU 24 -2.684 -2.904 3.070 210 1HD2 LEU 24 3HD2 LEU 24 -5.730 -0.300 4.281 211 2HD2 LEU 24 2HD2 LEU 24 -4.205 0.555 4.058 212 3HD2 LEU 24 1HD2 LEU 24 -4.969 -0.256 2.690 213 H ALA 25 H ALA 25 -3.881 -4.101 7.542 214 HA ALA 25 HA ALA 25 -4.563 -5.922 8.853 215 1HB ALA 25 1HB ALA 25 -6.424 -3.867 9.366 216 2HB ALA 25 3HB ALA 25 -7.381 -5.322 9.087 217 3HB ALA 25 2HB ALA 25 -6.141 -5.311 10.340 218 H LEU 26 H LEU 26 -4.436 -6.377 6.179 219 HA LEU 26 HA LEU 26 -6.916 -7.375 5.065 220 1HB LEU 26 2HB LEU 26 -4.115 -8.184 4.223 221 2HB LEU 26 1HB LEU 26 -5.576 -8.155 3.238 222 HG LEU 26 HG LEU 26 -4.380 -5.674 4.494 223 1HD1 LEU 26 3HD1 LEU 26 -3.630 -7.152 2.098 224 2HD1 LEU 26 2HD1 LEU 26 -4.143 -5.509 1.721 225 3HD1 LEU 26 1HD1 LEU 26 -2.827 -5.782 2.864 226 1HD2 LEU 26 3HD2 LEU 26 -6.887 -6.286 3.244 227 2HD2 LEU 26 2HD2 LEU 26 -6.319 -4.730 3.852 228 3HD2 LEU 26 1HD2 LEU 26 -5.984 -5.201 2.185 229 HA PRO 27 HA PRO 27 -7.049 -11.378 6.814 230 1HB PRO 27 2HB PRO 27 -7.949 -12.883 4.699 231 2HB PRO 27 1HB PRO 27 -8.968 -11.739 5.595 232 1HG PRO 27 2HG PRO 27 -7.760 -11.455 2.883 233 2HG PRO 27 1HG PRO 27 -9.229 -10.713 3.538 234 1HD PRO 27 2HD PRO 27 -6.719 -9.462 3.231 235 2HD PRO 27 1HD PRO 27 -8.083 -8.834 4.181 236 H GLU 28 H GLU 28 -6.593 -13.881 5.860 237 HA GLU 28 HA GLU 28 -3.683 -13.942 5.601 238 1HB GLU 28 2HB GLU 28 -4.778 -15.603 7.009 239 2HB GLU 28 1HB GLU 28 -5.757 -16.155 5.649 240 1HG GLU 28 2HG GLU 28 -4.038 -17.725 5.624 241 2HG GLU 28 1HG GLU 28 -3.413 -16.520 4.496 242 H TYR 29 H TYR 29 -6.433 -15.059 3.579 243 HA TYR 29 HA TYR 29 -4.795 -15.923 1.406 244 1HB TYR 29 2HB TYR 29 -6.768 -16.161 0.164 245 2HB TYR 29 1HB TYR 29 -7.341 -16.317 1.826 246 HD1 TYR 29 HD1 TYR 29 -8.204 -14.195 2.995 247 HD2 TYR 29 HD2 TYR 29 -7.632 -14.464 -1.254 248 HE1 TYR 29 HE1 TYR 29 -9.767 -12.297 2.660 249 HE2 TYR 29 HE2 TYR 29 -9.183 -12.561 -1.584 250 HH TYR 29 HH TYR 29 -11.317 -11.605 0.173 251 H TYR 30 H TYR 30 -5.443 -12.824 2.584 252 HA TYR 30 HA TYR 30 -5.681 -11.015 0.596 253 1HB TYR 30 2HB TYR 30 -5.063 -10.136 2.710 254 2HB TYR 30 1HB TYR 30 -3.572 -11.078 2.758 255 HD1 TYR 30 HD1 TYR 30 -5.062 -9.003 0.025 256 HD2 TYR 30 HD2 TYR 30 -1.789 -9.539 2.756 257 HE1 TYR 30 HE1 TYR 30 -3.844 -7.139 -1.067 258 HE2 TYR 30 HE2 TYR 30 -0.570 -7.679 1.656 259 HH TYR 30 HH TYR 30 -1.462 -6.407 -1.331 260 H GLY 31 H GLY 31 -4.943 -10.964 -1.450 261 1HA GLY 31 2HA GLY 31 -2.506 -12.407 -2.204 262 2HA GLY 31 1HA GLY 31 -3.561 -11.504 -3.303 263 H GLU 32 H GLU 32 -0.533 -11.480 -2.627 264 HA GLU 32 HA GLU 32 -0.169 -8.717 -1.707 265 1HB GLU 32 2HB GLU 32 2.144 -9.199 -1.689 266 2HB GLU 32 1HB GLU 32 1.377 -10.718 -1.225 267 1HG GLU 32 2HG GLU 32 1.426 -10.888 -3.984 268 2HG GLU 32 1HG GLU 32 2.953 -10.086 -3.618 269 H ASN 33 H ASN 33 -1.741 -8.832 -4.037 270 HA ASN 33 HA ASN 33 0.095 -7.517 -5.974 271 1HB ASN 33 2HB ASN 33 -2.226 -8.796 -7.185 272 2HB ASN 33 1HB ASN 33 -0.555 -8.791 -7.721 273 1HD2 ASN 33 2HD2 ASN 33 -1.713 -12.238 -6.473 274 2HD2 ASN 33 1HD2 ASN 33 -2.507 -11.113 -7.465 275 H LEU 34 H LEU 34 -1.517 -6.365 -7.695 276 HA LEU 34 HA LEU 34 -3.007 -4.473 -6.041 277 1HB LEU 34 2HB LEU 34 -2.751 -4.625 -9.058 278 2HB LEU 34 1HB LEU 34 -3.369 -3.254 -8.137 279 HG LEU 34 HG LEU 34 -1.147 -2.622 -8.478 280 1HD1 LEU 34 2HD1 LEU 34 -1.802 -2.861 -5.988 281 2HD1 LEU 34 1HD1 LEU 34 -0.753 -4.278 -5.983 282 3HD1 LEU 34 3HD1 LEU 34 -0.087 -2.691 -6.357 283 1HD2 LEU 34 2HD2 LEU 34 -0.777 -5.249 -9.181 284 2HD2 LEU 34 1HD2 LEU 34 0.519 -4.060 -9.057 285 3HD2 LEU 34 3HD2 LEU 34 0.181 -5.140 -7.705 286 H ASP 35 H ASP 35 -3.783 -7.451 -7.312 287 HA ASP 35 HA ASP 35 -6.521 -6.800 -8.121 288 1HB ASP 35 2HB ASP 35 -6.557 -9.480 -7.671 289 2HB ASP 35 1HB ASP 35 -6.126 -8.750 -9.213 290 H ALA 36 H ALA 36 -5.115 -8.768 -5.469 291 HA ALA 36 HA ALA 36 -7.620 -8.755 -4.005 292 1HB ALA 36 3HB ALA 36 -4.873 -9.811 -3.567 293 2HB ALA 36 2HB ALA 36 -5.829 -9.480 -2.121 294 3HB ALA 36 1HB ALA 36 -6.430 -10.612 -3.333 295 H LEU 37 H LEU 37 -4.722 -6.847 -4.045 296 HA LEU 37 HA LEU 37 -5.192 -5.428 -1.574 297 1HB LEU 37 2HB LEU 37 -2.981 -5.405 -2.598 298 2HB LEU 37 1HB LEU 37 -3.636 -4.642 -4.046 299 HG LEU 37 HG LEU 37 -4.483 -3.066 -1.844 300 1HD1 LEU 37 1HD1 LEU 37 -1.558 -3.861 -1.757 301 2HD1 LEU 37 3HD1 LEU 37 -2.181 -2.396 -0.996 302 3HD1 LEU 37 2HD1 LEU 37 -2.742 -3.979 -0.455 303 1HD2 LEU 37 1HD2 LEU 37 -3.754 -2.581 -4.330 304 2HD2 LEU 37 3HD2 LEU 37 -3.518 -1.344 -3.095 305 3HD2 LEU 37 2HD2 LEU 37 -2.159 -2.344 -3.613 306 H TRP 38 H TRP 38 -5.746 -4.532 -4.998 307 HA TRP 38 HA TRP 38 -7.184 -2.125 -4.418 308 1HB TRP 38 2HB TRP 38 -6.395 -2.549 -6.681 309 2HB TRP 38 1HB TRP 38 -7.266 -4.070 -6.729 310 HD1 TRP 38 HD1 TRP 38 -9.384 -4.044 -7.907 311 HE1 TRP 38 HE1 TRP 38 -11.149 -2.306 -8.631 312 HE3 TRP 38 HE3 TRP 38 -7.416 0.151 -5.767 313 HZ2 TRP 38 HZ2 TRP 38 -11.639 0.492 -8.352 314 HZ3 TRP 38 HZ3 TRP 38 -8.536 2.338 -6.026 315 HH2 TRP 38 HH2 TRP 38 -10.648 2.515 -7.313 316 H ASP 39 H ASP 39 -8.090 -5.472 -4.776 317 HA ASP 39 HA ASP 39 -10.916 -5.137 -4.493 318 1HB ASP 39 2HB ASP 39 -8.998 -7.352 -4.351 319 2HB ASP 39 1HB ASP 39 -10.372 -7.552 -3.263 320 H ALA 40 H ALA 40 -8.283 -5.126 -2.232 321 HA ALA 40 HA ALA 40 -10.023 -5.333 0.124 322 1HB ALA 40 2HB ALA 40 -7.497 -6.022 -0.087 323 2HB ALA 40 1HB ALA 40 -7.200 -4.315 0.249 324 3HB ALA 40 3HB ALA 40 -8.084 -5.301 1.415 325 H LEU 41 H LEU 41 -7.680 -2.774 -0.772 326 HA LEU 41 HA LEU 41 -8.601 -0.690 0.742 327 1HB LEU 41 2HB LEU 41 -7.571 -0.745 -2.074 328 2HB LEU 41 1HB LEU 41 -8.173 0.774 -1.417 329 HG LEU 41 HG LEU 41 -6.293 -0.752 0.309 330 1HD1 LEU 41 2HD1 LEU 41 -5.254 -0.992 -1.928 331 2HD1 LEU 41 1HD1 LEU 41 -5.391 0.752 -2.178 332 3HD1 LEU 41 3HD1 LEU 41 -4.325 0.119 -0.916 333 1HD2 LEU 41 2HD2 LEU 41 -6.838 2.131 -0.393 334 2HD2 LEU 41 1HD2 LEU 41 -6.976 1.338 1.176 335 3HD2 LEU 41 3HD2 LEU 41 -5.381 1.665 0.492 336 H THR 42 H THR 42 -9.864 -1.505 -2.439 337 HA THR 42 HA THR 42 -12.208 0.225 -2.063 338 HB THR 42 HB THR 42 -12.630 -0.102 -4.315 339 HG1 THR 42 HG1 THR 42 -11.759 -2.144 -5.299 340 1HG2 THR 42 3HG2 THR 42 -9.944 0.158 -3.626 341 2HG2 THR 42 2HG2 THR 42 -9.949 -1.114 -4.846 342 3HG2 THR 42 1HG2 THR 42 -10.647 0.462 -5.211 343 H GLY 43 H GLY 43 -12.232 -1.659 -0.030 344 1HA GLY 43 2HA GLY 43 -14.695 -2.657 0.229 345 2HA GLY 43 1HA GLY 43 -14.042 -3.834 -0.913 346 H TRP 44 H TRP 44 -12.203 -2.304 1.724 347 HA TRP 44 HA TRP 44 -12.496 -4.525 3.548 348 1HB TRP 44 2HB TRP 44 -11.134 -5.728 1.914 349 2HB TRP 44 1HB TRP 44 -9.952 -4.415 1.900 350 HD1 TRP 44 HD1 TRP 44 -8.790 -3.874 4.366 351 HE1 TRP 44 HE1 TRP 44 -8.060 -5.538 6.195 352 HE3 TRP 44 HE3 TRP 44 -11.510 -7.962 2.977 353 HZ2 TRP 44 HZ2 TRP 44 -8.568 -8.250 6.969 354 HZ3 TRP 44 HZ3 TRP 44 -11.372 -10.070 4.274 355 HH2 TRP 44 HH2 TRP 44 -9.904 -10.219 6.267 356 H VAL 45 H VAL 45 -10.493 -1.916 2.340 357 HA VAL 45 HA VAL 45 -9.254 -1.334 4.895 358 HB VAL 45 HB VAL 45 -9.417 -0.026 2.198 359 1HG1 VAL 45 3HG1 VAL 45 -8.251 1.208 4.696 360 2HG1 VAL 45 2HG1 VAL 45 -7.994 1.805 3.057 361 3HG1 VAL 45 1HG1 VAL 45 -9.614 1.817 3.756 362 1HG2 VAL 45 3HG2 VAL 45 -7.301 -1.263 3.949 363 2HG2 VAL 45 2HG2 VAL 45 -7.723 -1.657 2.283 364 3HG2 VAL 45 1HG2 VAL 45 -6.848 -0.168 2.642 365 H GLU 46 H GLU 46 -9.598 0.866 5.936 366 HA GLU 46 HA GLU 46 -12.495 1.606 5.832 367 1HB GLU 46 2HB GLU 46 -10.593 1.217 8.102 368 2HB GLU 46 1HB GLU 46 -11.783 2.510 8.255 369 1HG GLU 46 2HG GLU 46 -13.070 0.164 7.196 370 2HG GLU 46 1HG GLU 46 -12.191 -0.267 8.665 371 H TYR 47 H TYR 47 -12.706 3.529 4.823 372 HA TYR 47 HA TYR 47 -10.476 5.476 4.954 373 1HB TYR 47 2HB TYR 47 -12.992 5.509 3.263 374 2HB TYR 47 1HB TYR 47 -11.588 6.561 3.066 375 HD1 TYR 47 HD2 TYR 47 -9.263 4.945 3.265 376 HD2 TYR 47 HD1 TYR 47 -13.080 3.892 1.584 377 HE1 TYR 47 HE2 TYR 47 -8.172 3.212 1.861 378 HE2 TYR 47 HE1 TYR 47 -11.977 2.169 0.178 379 HH TYR 47 HH TYR 47 -8.764 1.162 0.702 380 HA PRO 48 HA PRO 48 -10.767 7.813 4.066 381 1HB PRO 48 2HB PRO 48 -9.634 9.866 5.508 382 2HB PRO 48 1HB PRO 48 -11.118 10.024 4.548 383 1HG PRO 48 2HG PRO 48 -10.808 9.785 7.515 384 2HG PRO 48 1HG PRO 48 -12.055 10.630 6.580 385 1HD PRO 48 2HD PRO 48 -12.403 8.139 7.803 386 2HD PRO 48 1HD PRO 48 -13.402 8.765 6.472 387 H LEU 49 H LEU 49 -8.809 6.917 3.759 388 HA LEU 49 HA LEU 49 -7.360 5.853 6.121 389 1HB LEU 49 2HB LEU 49 -7.723 4.138 4.553 390 2HB LEU 49 1HB LEU 49 -7.416 5.203 3.181 391 HG LEU 49 HG LEU 49 -4.996 5.354 4.053 392 1HD1 LEU 49 3HD1 LEU 49 -5.658 4.348 6.304 393 2HD1 LEU 49 2HD1 LEU 49 -5.791 2.801 5.469 394 3HD1 LEU 49 1HD1 LEU 49 -4.238 3.635 5.538 395 1HD2 LEU 49 1HD2 LEU 49 -6.387 3.277 2.562 396 2HD2 LEU 49 3HD2 LEU 49 -4.834 4.045 2.227 397 3HD2 LEU 49 2HD2 LEU 49 -4.919 2.661 3.320 398 H VAL 50 H VAL 50 -5.027 6.115 6.234 399 HA VAL 50 HA VAL 50 -4.045 8.544 4.782 400 HB VAL 50 HB VAL 50 -4.014 7.827 7.653 401 1HG1 VAL 50 3HG1 VAL 50 -1.499 8.653 6.213 402 2HG1 VAL 50 2HG1 VAL 50 -1.798 9.209 7.860 403 3HG1 VAL 50 1HG1 VAL 50 -1.694 7.481 7.518 404 1HG2 VAL 50 1HG2 VAL 50 -5.028 9.860 6.402 405 2HG2 VAL 50 3HG2 VAL 50 -4.173 10.161 7.915 406 3HG2 VAL 50 2HG2 VAL 50 -3.376 10.476 6.374 407 H LEU 51 H LEU 51 -2.954 7.435 3.120 408 HA LEU 51 HA LEU 51 -1.241 5.143 3.775 409 1HB LEU 51 2HB LEU 51 -2.446 5.213 1.627 410 2HB LEU 51 1HB LEU 51 -1.589 6.698 1.195 411 HG LEU 51 HG LEU 51 0.557 5.266 1.646 412 1HD1 LEU 51 1HD1 LEU 51 -1.398 3.349 2.172 413 2HD1 LEU 51 3HD1 LEU 51 -0.808 2.946 0.555 414 3HD1 LEU 51 2HD1 LEU 51 0.322 3.046 1.913 415 1HD2 LEU 51 3HD2 LEU 51 -0.657 6.104 -0.575 416 2HD2 LEU 51 2HD2 LEU 51 0.752 5.048 -0.628 417 3HD2 LEU 51 1HD2 LEU 51 -0.869 4.366 -0.800 418 H GLU 52 H GLU 52 -0.061 6.709 5.362 419 HA GLU 52 HA GLU 52 1.688 8.730 4.323 420 1HB GLU 52 2HB GLU 52 1.159 8.688 6.686 421 2HB GLU 52 1HB GLU 52 1.808 7.055 6.846 422 1HG GLU 52 2HG GLU 52 4.048 7.815 6.410 423 2HG GLU 52 1HG GLU 52 3.475 9.417 5.942 424 H TRP 53 H TRP 53 2.700 7.659 2.438 425 HA TRP 53 HA TRP 53 4.328 5.292 2.874 426 1HB TRP 53 2HB TRP 53 3.328 6.274 0.621 427 2HB TRP 53 1HB TRP 53 4.873 7.133 0.577 428 HD1 TRP 53 HD1 TRP 53 7.084 5.403 1.097 429 HE1 TRP 53 HE1 TRP 53 7.498 3.071 0.086 430 HE3 TRP 53 HE3 TRP 53 2.350 4.235 -0.393 431 HZ2 TRP 53 HZ2 TRP 53 6.009 0.990 -1.182 432 HZ3 TRP 53 HZ3 TRP 53 1.870 2.077 -1.498 433 HH2 TRP 53 HH2 TRP 53 3.698 0.446 -1.896 434 H ARG 54 H ARG 54 6.094 5.434 4.151 435 HA ARG 54 HA ARG 54 7.395 7.582 5.203 436 1HB ARG 54 2HB ARG 54 8.340 4.873 4.411 437 2HB ARG 54 1HB ARG 54 9.573 6.062 4.833 438 1HG ARG 54 2HG ARG 54 7.294 6.057 6.682 439 2HG ARG 54 1HG ARG 54 8.168 4.524 6.648 440 1HD ARG 54 2HD ARG 54 9.550 5.561 8.130 441 2HD ARG 54 1HD ARG 54 10.245 6.286 6.681 442 HE ARG 54 HE ARG 54 8.309 8.079 7.220 443 1HH1 ARG 54 1HH2 ARG 54 10.983 6.795 8.911 444 2HH1 ARG 54 2HH2 ARG 54 10.849 7.884 10.250 445 1HH2 ARG 54 1HH1 ARG 54 9.111 9.325 10.366 446 2HH2 ARG 54 2HH1 ARG 54 7.912 9.338 9.114 447 H GLN 55 H GLN 55 9.611 6.145 2.928 448 HA GLN 55 HA GLN 55 9.993 8.851 1.746 449 1HB GLN 55 2HB GLN 55 11.799 6.444 2.018 450 2HB GLN 55 1HB GLN 55 12.198 7.799 0.961 451 1HG GLN 55 2HG GLN 55 11.493 9.094 3.277 452 2HG GLN 55 1HG GLN 55 12.261 7.634 3.901 453 1HE2 GLN 55 2HE2 GLN 55 14.533 10.197 1.613 454 2HE2 GLN 55 1HE2 GLN 55 12.853 10.153 1.378 455 H PHE 56 H PHE 56 9.212 5.534 0.944 456 HA PHE 56 HA PHE 56 8.141 4.761 -1.024 457 1HB PHE 56 2HB PHE 56 7.508 7.257 -1.332 458 2HB PHE 56 1HB PHE 56 8.893 7.324 -2.422 459 HD1 PHE 56 HD1 PHE 56 6.212 4.782 -1.742 460 HD2 PHE 56 HD2 PHE 56 8.238 7.203 -4.654 461 HE1 PHE 56 HE1 PHE 56 4.848 3.766 -3.536 462 HE2 PHE 56 HE2 PHE 56 6.873 6.185 -6.449 463 HZ PHE 56 HZ PHE 56 5.176 4.463 -5.895 464 H GLU 57 H GLU 57 10.857 6.873 -2.054 465 HA GLU 57 HA GLU 57 11.915 5.320 -4.077 466 1HB GLU 57 2HB GLU 57 12.842 7.449 -2.485 467 2HB GLU 57 1HB GLU 57 14.081 6.199 -2.363 468 1HG GLU 57 2HG GLU 57 13.280 6.255 -5.076 469 2HG GLU 57 1HG GLU 57 13.492 7.937 -4.587 470 H GLN 58 H GLN 58 12.984 5.038 -0.663 471 HA GLN 58 HA GLN 58 14.469 2.639 -1.046 472 1HB GLN 58 2HB GLN 58 13.894 2.330 1.487 473 2HB GLN 58 1HB GLN 58 14.900 3.693 0.997 474 1HG GLN 58 2HG GLN 58 13.149 5.237 1.250 475 2HG GLN 58 1HG GLN 58 11.907 3.991 1.128 476 1HE2 GLN 58 2HE2 GLN 58 13.931 3.560 4.635 477 2HE2 GLN 58 1HE2 GLN 58 14.732 3.411 3.146 478 H SER 59 H SER 59 13.862 0.499 -1.072 479 HA SER 59 HA SER 59 12.456 -1.392 -0.841 480 1HB SER 59 2HB SER 59 11.329 0.146 0.994 481 2HB SER 59 1HB SER 59 10.071 0.312 -0.233 482 HG SER 59 HG SER 59 11.064 -2.245 0.263 483 H LYS 60 H LYS 60 11.107 1.524 -2.351 484 HA LYS 60 HA LYS 60 9.513 -0.019 -4.255 485 1HB LYS 60 2HB LYS 60 8.733 2.158 -3.492 486 2HB LYS 60 1HB LYS 60 10.206 2.920 -4.102 487 1HG LYS 60 2HG LYS 60 8.656 1.284 -6.045 488 2HG LYS 60 1HG LYS 60 7.930 2.813 -5.547 489 1HD LYS 60 2HD LYS 60 9.528 4.065 -6.592 490 2HD LYS 60 1HD LYS 60 10.818 2.928 -6.198 491 1HE LYS 60 2HE LYS 60 10.703 2.436 -8.426 492 2HE LYS 60 1HE LYS 60 9.355 1.419 -7.920 493 1HZ LYS 60 3HZ LYS 60 8.836 4.245 -8.490 494 2HZ LYS 60 2HZ LYS 60 9.073 3.192 -9.802 495 3HZ LYS 60 1HZ LYS 60 7.822 2.900 -8.689 496 H GLN 61 H GLN 61 12.743 1.348 -4.189 497 HA GLN 61 HA GLN 61 13.033 1.343 -7.097 498 1HB GLN 61 2HB GLN 61 14.326 2.905 -5.685 499 2HB GLN 61 1HB GLN 61 15.138 1.533 -4.932 500 1HG GLN 61 2HG GLN 61 16.622 1.455 -6.618 501 2HG GLN 61 1HG GLN 61 15.313 1.252 -7.782 502 1HE2 GLN 61 2HE2 GLN 61 17.123 4.866 -7.404 503 2HE2 GLN 61 1HE2 GLN 61 17.591 3.544 -6.448 504 H LEU 62 H LEU 62 14.880 -0.353 -4.664 505 HA LEU 62 HA LEU 62 16.126 -2.301 -6.086 506 1HB LEU 62 2HB LEU 62 14.996 -3.741 -3.903 507 2HB LEU 62 1HB LEU 62 16.619 -3.066 -4.034 508 HG LEU 62 HG LEU 62 15.765 -0.890 -3.192 509 1HD1 LEU 62 3HD1 LEU 62 13.315 -1.724 -3.985 510 2HD1 LEU 62 2HD1 LEU 62 13.232 -2.150 -2.286 511 3HD1 LEU 62 1HD1 LEU 62 13.544 -0.480 -2.761 512 1HD2 LEU 62 1HD2 LEU 62 15.294 -3.377 -1.550 513 2HD2 LEU 62 3HD2 LEU 62 16.682 -2.288 -1.510 514 3HD2 LEU 62 2HD2 LEU 62 15.127 -1.761 -0.865 515 H THR 63 H THR 63 12.688 -2.154 -5.587 516 HA THR 63 HA THR 63 12.303 -4.850 -6.723 517 HB THR 63 HB THR 63 10.904 -3.883 -4.805 518 HG1 THR 63 HG1 THR 63 10.346 -5.561 -6.592 519 1HG2 THR 63 1HG2 THR 63 10.504 -1.847 -6.749 520 2HG2 THR 63 3HG2 THR 63 8.954 -2.646 -6.485 521 3HG2 THR 63 2HG2 THR 63 9.828 -1.945 -5.124 522 H GLU 64 H GLU 64 9.713 -3.783 -7.970 523 HA GLU 64 HA GLU 64 10.581 -2.021 -10.115 524 1HB GLU 64 2HB GLU 64 10.121 -3.790 -11.902 525 2HB GLU 64 1HB GLU 64 11.634 -3.972 -11.015 526 1HG GLU 64 2HG GLU 64 10.931 -5.865 -9.933 527 2HG GLU 64 1HG GLU 64 9.259 -5.313 -9.839 528 H ASN 65 H ASN 65 8.694 -0.861 -9.544 529 HA ASN 65 HA ASN 65 6.439 -0.286 -9.956 530 1HB ASN 65 2HB ASN 65 6.840 -2.083 -11.893 531 2HB ASN 65 1HB ASN 65 5.770 -3.049 -10.877 532 1HD2 ASN 65 2HD2 ASN 65 2.942 -1.392 -12.139 533 2HD2 ASN 65 1HD2 ASN 65 3.641 -2.829 -11.567 534 H GLY 66 H GLY 66 7.658 -2.099 -7.682 535 1HA GLY 66 2HA GLY 66 5.406 -3.574 -6.631 536 2HA GLY 66 1HA GLY 66 6.842 -3.101 -5.713 537 H ALA 67 H ALA 67 6.925 -0.823 -4.957 538 HA ALA 67 HA ALA 67 4.539 -0.022 -3.622 539 1HB ALA 67 1HB ALA 67 6.977 1.619 -4.390 540 2HB ALA 67 3HB ALA 67 5.736 2.139 -3.250 541 3HB ALA 67 2HB ALA 67 6.745 0.742 -2.878 542 H GLU 68 H GLU 68 5.777 0.717 -6.832 543 HA GLU 68 HA GLU 68 4.085 2.949 -7.366 544 1HB GLU 68 2HB GLU 68 6.105 1.688 -8.725 545 2HB GLU 68 1HB GLU 68 4.689 1.186 -9.650 546 1HG GLU 68 2HG GLU 68 3.993 3.549 -9.860 547 2HG GLU 68 1HG GLU 68 5.423 4.045 -8.954 548 H SER 69 H SER 69 3.657 -0.537 -7.602 549 HA SER 69 HA SER 69 1.097 -0.369 -8.966 550 1HB SER 69 2HB SER 69 2.818 -2.493 -7.839 551 2HB SER 69 1HB SER 69 1.092 -2.830 -7.767 552 HG SER 69 HG SER 69 1.166 -2.064 -10.074 553 H VAL 70 H VAL 70 2.062 -1.002 -5.559 554 HA VAL 70 HA VAL 70 -0.599 -1.147 -4.581 555 HB VAL 70 HB VAL 70 1.864 -0.053 -3.172 556 1HG1 VAL 70 3HG1 VAL 70 -0.906 -0.750 -2.215 557 2HG1 VAL 70 2HG1 VAL 70 0.476 -0.749 -1.120 558 3HG1 VAL 70 1HG1 VAL 70 0.007 0.736 -1.945 559 1HG2 VAL 70 3HG2 VAL 70 1.476 -2.613 -4.056 560 2HG2 VAL 70 2HG2 VAL 70 2.432 -2.200 -2.632 561 3HG2 VAL 70 1HG2 VAL 70 0.749 -2.697 -2.451 562 H LEU 71 H LEU 71 1.448 1.425 -5.673 563 HA LEU 71 HA LEU 71 -0.243 3.450 -4.472 564 1HB LEU 71 2HB LEU 71 2.316 3.409 -5.773 565 2HB LEU 71 1HB LEU 71 1.290 4.628 -6.528 566 HG LEU 71 HG LEU 71 2.143 5.876 -4.797 567 1HD1 LEU 71 3HD1 LEU 71 -0.431 5.311 -4.431 568 2HD1 LEU 71 2HD1 LEU 71 0.213 4.647 -2.928 569 3HD1 LEU 71 1HD1 LEU 71 0.472 6.347 -3.324 570 1HD2 LEU 71 2HD2 LEU 71 3.055 3.424 -3.910 571 2HD2 LEU 71 1HD2 LEU 71 3.392 4.979 -3.147 572 3HD2 LEU 71 3HD2 LEU 71 2.046 3.992 -2.580 573 H GLN 72 H GLN 72 -0.020 1.748 -7.511 574 HA GLN 72 HA GLN 72 -1.699 3.553 -8.996 575 1HB GLN 72 2HB GLN 72 -0.957 0.652 -9.258 576 2HB GLN 72 1HB GLN 72 -2.266 1.302 -10.247 577 1HG GLN 72 2HG GLN 72 -0.553 3.209 -10.791 578 2HG GLN 72 1HG GLN 72 0.649 2.036 -10.254 579 1HE2 GLN 72 2HE2 GLN 72 -0.524 -0.319 -12.913 580 2HE2 GLN 72 1HE2 GLN 72 -0.451 -0.371 -11.218 581 H VAL 73 H VAL 73 -2.232 0.963 -6.746 582 HA VAL 73 HA VAL 73 -5.150 0.959 -7.096 583 HB VAL 73 HB VAL 73 -3.344 -0.403 -5.082 584 1HG1 VAL 73 2HG1 VAL 73 -5.843 0.159 -4.465 585 2HG1 VAL 73 1HG1 VAL 73 -6.199 -1.135 -5.601 586 3HG1 VAL 73 3HG1 VAL 73 -5.221 -1.462 -4.181 587 1HG2 VAL 73 2HG2 VAL 73 -4.281 -0.939 -7.796 588 2HG2 VAL 73 1HG2 VAL 73 -2.986 -1.724 -6.881 589 3HG2 VAL 73 3HG2 VAL 73 -4.659 -2.259 -6.684 590 H PHE 74 H PHE 74 -2.952 1.820 -4.416 591 HA PHE 74 HA PHE 74 -4.822 2.836 -2.639 592 1HB PHE 74 2HB PHE 74 -1.939 3.243 -3.187 593 2HB PHE 74 1HB PHE 74 -2.732 4.521 -2.285 594 HD1 PHE 74 HD1 PHE 74 -1.802 0.979 -2.297 595 HD2 PHE 74 HD2 PHE 74 -3.652 4.122 -0.057 596 HE1 PHE 74 HE1 PHE 74 -1.671 -0.416 -0.273 597 HE2 PHE 74 HE2 PHE 74 -3.541 2.721 1.979 598 HZ PHE 74 HZ PHE 74 -2.566 0.462 1.866 599 H ARG 75 H ARG 75 -2.910 4.558 -5.086 600 HA ARG 75 HA ARG 75 -4.316 7.035 -4.893 601 1HB ARG 75 2HB ARG 75 -2.767 5.772 -7.170 602 2HB ARG 75 1HB ARG 75 -3.450 7.394 -7.264 603 1HG ARG 75 2HG ARG 75 -2.068 8.207 -5.529 604 2HG ARG 75 1HG ARG 75 -1.668 6.583 -4.971 605 1HD ARG 75 2HD ARG 75 0.264 7.181 -6.150 606 2HD ARG 75 1HD ARG 75 -0.652 6.290 -7.366 607 HE ARG 75 HE ARG 75 -0.873 8.303 -8.574 608 1HH1 ARG 75 2HH1 ARG 75 -2.229 10.258 -7.296 609 2HH1 ARG 75 1HH1 ARG 75 -1.076 11.358 -6.618 610 1HH2 ARG 75 1HH2 ARG 75 1.571 9.129 -6.827 611 2HH2 ARG 75 2HH2 ARG 75 1.075 10.719 -6.353 612 H GLU 76 H GLU 76 -4.853 4.139 -6.978 613 HA GLU 76 HA GLU 76 -7.015 5.275 -8.484 614 1HB GLU 76 2HB GLU 76 -6.117 2.511 -7.791 615 2HB GLU 76 1HB GLU 76 -7.741 2.711 -8.447 616 1HG GLU 76 2HG GLU 76 -6.952 3.617 -10.469 617 2HG GLU 76 1HG GLU 76 -5.377 4.017 -9.780 618 H ALA 77 H ALA 77 -6.768 4.247 -5.234 619 HA ALA 77 HA ALA 77 -9.630 3.831 -4.799 620 1HB ALA 77 3HB ALA 77 -7.315 4.122 -2.839 621 2HB ALA 77 2HB ALA 77 -8.943 3.585 -2.425 622 3HB ALA 77 1HB ALA 77 -7.930 2.594 -3.473 623 H LYS 78 H LYS 78 -7.249 6.234 -3.583 624 HA LYS 78 HA LYS 78 -9.206 8.022 -2.558 625 1HB LYS 78 2HB LYS 78 -7.391 9.526 -2.298 626 2HB LYS 78 1HB LYS 78 -6.680 7.930 -2.104 627 1HG LYS 78 2HG LYS 78 -6.102 7.997 -4.567 628 2HG LYS 78 1HG LYS 78 -6.598 9.690 -4.568 629 1HD LYS 78 2HD LYS 78 -4.509 8.565 -2.684 630 2HD LYS 78 1HD LYS 78 -4.119 9.330 -4.225 631 1HE LYS 78 2HE LYS 78 -5.811 10.709 -2.134 632 2HE LYS 78 1HE LYS 78 -4.053 10.846 -2.157 633 1HZ LYS 78 3HZ LYS 78 -5.753 11.444 -4.510 634 2HZ LYS 78 2HZ LYS 78 -5.286 12.625 -3.381 635 3HZ LYS 78 1HZ LYS 78 -4.111 11.809 -4.297 636 H ALA 79 H ALA 79 -8.315 7.230 -5.747 637 HA ALA 79 HA ALA 79 -9.127 9.832 -6.900 638 1HB ALA 79 2HB ALA 79 -7.311 8.011 -7.744 639 2HB ALA 79 1HB ALA 79 -8.733 7.438 -8.624 640 3HB ALA 79 3HB ALA 79 -8.157 9.093 -8.850 641 H GLU 80 H GLU 80 -9.970 6.487 -7.664 642 HA GLU 80 HA GLU 80 -12.369 6.942 -8.974 643 1HB GLU 80 2HB GLU 80 -11.807 4.617 -7.115 644 2HB GLU 80 1HB GLU 80 -12.920 4.646 -8.480 645 1HG GLU 80 2HG GLU 80 -10.195 5.471 -9.185 646 2HG GLU 80 1HG GLU 80 -10.310 3.802 -8.624 647 H GLY 81 H GLY 81 -12.151 6.050 -5.474 648 1HA GLY 81 2HA GLY 81 -14.290 7.988 -4.906 649 2HA GLY 81 1HA GLY 81 -14.790 6.302 -4.748 650 H ALA 82 H ALA 82 -12.375 5.247 -3.694 651 HA ALA 82 HA ALA 82 -12.670 5.394 -0.981 652 1HB ALA 82 3HB ALA 82 -10.606 4.532 -2.744 653 2HB ALA 82 2HB ALA 82 -9.844 5.434 -1.432 654 3HB ALA 82 1HB ALA 82 -10.876 4.048 -1.070 655 H ASP 83 H ASP 83 -11.664 6.590 0.731 656 HA ASP 83 HA ASP 83 -10.877 9.368 -0.052 657 1HB ASP 83 2HB ASP 83 -12.983 8.869 1.454 658 2HB ASP 83 1HB ASP 83 -11.781 8.607 2.717 659 H ILE 84 H ILE 84 -8.836 7.867 -0.369 660 HA ILE 84 HA ILE 84 -7.394 7.408 2.175 661 HB ILE 84 HB ILE 84 -6.841 6.679 -0.708 662 1HG1 ILE 84 2HG1 ILE 84 -6.966 4.670 1.455 663 2HG1 ILE 84 1HG1 ILE 84 -8.486 5.491 1.088 664 1HG2 ILE 84 1HG2 ILE 84 -4.729 7.206 0.542 665 2HG2 ILE 84 3HG2 ILE 84 -5.188 5.993 1.739 666 3HG2 ILE 84 2HG2 ILE 84 -4.854 5.513 0.073 667 1HD1 ILE 84 3HD1 ILE 84 -8.033 4.996 -1.353 668 2HD1 ILE 84 2HD1 ILE 84 -6.713 3.954 -0.821 669 3HD1 ILE 84 1HD1 ILE 84 -8.373 3.581 -0.361 670 H THR 85 H THR 85 -5.172 8.167 2.381 671 HA THR 85 HA THR 85 -4.700 10.748 0.949 672 HB THR 85 HB THR 85 -3.208 10.360 3.441 673 HG1 THR 85 HG1 THR 85 -5.149 10.736 4.705 674 1HG2 THR 85 2HG2 THR 85 -3.565 12.483 2.082 675 2HG2 THR 85 1HG2 THR 85 -5.220 12.489 2.694 676 3HG2 THR 85 3HG2 THR 85 -3.866 12.629 3.814 677 H ILE 86 H ILE 86 -3.495 9.742 -0.728 678 HA ILE 86 HA ILE 86 -1.324 7.910 -0.142 679 HB ILE 86 HB ILE 86 -2.569 9.120 -2.530 680 1HG1 ILE 86 2HG1 ILE 86 -2.493 6.902 -3.329 681 2HG1 ILE 86 1HG1 ILE 86 -1.112 6.487 -2.319 682 1HG2 ILE 86 3HG2 ILE 86 0.400 8.635 -2.383 683 2HG2 ILE 86 2HG2 ILE 86 -0.473 8.359 -3.891 684 3HG2 ILE 86 1HG2 ILE 86 -0.467 9.963 -3.154 685 1HD1 ILE 86 1HD1 ILE 86 -3.317 7.349 -0.656 686 2HD1 ILE 86 3HD1 ILE 86 -3.845 6.065 -1.740 687 3HD1 ILE 86 2HD1 ILE 86 -2.479 5.795 -0.657 688 H ILE 87 H ILE 87 0.213 8.811 1.174 689 HA ILE 87 HA ILE 87 1.228 11.524 0.636 690 HB ILE 87 HB ILE 87 2.149 9.452 2.653 691 1HG1 ILE 87 2HG1 ILE 87 0.173 11.745 2.819 692 2HG1 ILE 87 1HG1 ILE 87 -0.140 10.037 3.127 693 1HG2 ILE 87 1HG2 ILE 87 3.757 11.318 1.991 694 2HG2 ILE 87 3HG2 ILE 87 2.582 12.448 2.661 695 3HG2 ILE 87 2HG2 ILE 87 3.342 11.244 3.702 696 1HD1 ILE 87 1HD1 ILE 87 1.992 10.682 4.824 697 2HD1 ILE 87 3HD1 ILE 87 0.900 12.064 4.931 698 3HD1 ILE 87 2HD1 ILE 87 0.310 10.443 5.298 699 H LEU 88 H LEU 88 3.015 11.941 -0.585 700 HA LEU 88 HA LEU 88 5.005 9.779 -1.011 701 1HB LEU 88 2HB LEU 88 3.308 11.081 -3.116 702 2HB LEU 88 1HB LEU 88 4.965 10.624 -3.515 703 HG LEU 88 HG LEU 88 3.041 8.694 -2.210 704 1HD1 LEU 88 2HD1 LEU 88 2.580 9.777 -4.679 705 2HD1 LEU 88 1HD1 LEU 88 3.600 8.400 -5.096 706 3HD1 LEU 88 3HD1 LEU 88 2.097 8.146 -4.209 707 1HD2 LEU 88 2HD2 LEU 88 5.777 8.620 -3.394 708 2HD2 LEU 88 1HD2 LEU 88 5.117 7.713 -2.032 709 3HD2 LEU 88 3HD2 LEU 88 4.746 7.219 -3.683 710 H SER 89 HN SER 89 5.780 11.639 0.605 711 HA SER 89 HA SER 89 6.517 14.198 -0.195 712 1HB SER 89 2HB SER 89 7.951 12.183 1.536 713 2HB SER 89 1HB SER 89 8.605 13.800 1.273 714 HG SER 89 HG SER 89 6.914 13.192 3.074 No H/Q in entry = 714 Start of MODEL 23 1 1H LYS 1 2H LYS 1 -8.389 4.367 7.848 2 2H LYS 1 1H LYS 1 -9.270 3.550 9.050 3 3H LYS 1 3H LYS 1 -8.821 5.169 9.281 4 HA LYS 1 HA LYS 1 -7.271 4.060 10.556 5 1HB LYS 1 2HB LYS 1 -7.700 1.971 8.499 6 2HB LYS 1 1HB LYS 1 -6.063 2.065 9.149 7 1HG LYS 1 2HG LYS 1 -8.473 2.056 10.966 8 2HG LYS 1 1HG LYS 1 -7.744 0.553 10.398 9 1HD LYS 1 2HD LYS 1 -6.081 0.733 11.902 10 2HD LYS 1 1HD LYS 1 -5.682 2.351 11.321 11 1HE LYS 1 2HE LYS 1 -8.101 1.998 13.058 12 2HE LYS 1 1HE LYS 1 -6.505 1.998 13.809 13 1HZ LYS 1 1HZ LYS 1 -6.257 4.096 12.230 14 2HZ LYS 1 3HZ LYS 1 -7.934 4.159 12.477 15 3HZ LYS 1 2HZ LYS 1 -6.878 4.210 13.807 16 H LYS 2 H LYS 2 -4.857 4.144 10.352 17 HA LYS 2 HA LYS 2 -4.120 5.739 7.942 18 1HB LYS 2 2HB LYS 2 -2.775 7.116 9.238 19 2HB LYS 2 1HB LYS 2 -4.075 6.756 10.367 20 1HG LYS 2 2HG LYS 2 -2.222 6.335 11.696 21 2HG LYS 2 1HG LYS 2 -2.509 4.728 11.034 22 1HD LYS 2 2HD LYS 2 -0.245 4.957 10.576 23 2HD LYS 2 1HD LYS 2 -0.926 5.623 9.092 24 1HE LYS 2 2HE LYS 2 0.813 7.118 9.983 25 2HE LYS 2 1HE LYS 2 -0.767 7.899 10.044 26 1HZ LYS 2 2HZ LYS 2 -0.026 6.348 12.383 27 2HZ LYS 2 1HZ LYS 2 0.883 7.759 12.121 28 3HZ LYS 2 3HZ LYS 2 -0.803 7.855 12.277 29 H ALA 3 H ALA 3 -3.017 4.501 6.550 30 HA ALA 3 HA ALA 3 -1.371 2.258 7.519 31 1HB ALA 3 2HB ALA 3 -2.702 2.970 5.052 32 2HB ALA 3 1HB ALA 3 -1.006 2.601 4.739 33 3HB ALA 3 3HB ALA 3 -2.035 1.412 5.538 34 H VAL 4 H VAL 4 0.903 2.134 7.155 35 HA VAL 4 HA VAL 4 2.223 4.658 6.291 36 HB VAL 4 HB VAL 4 3.019 3.095 8.764 37 1HG1 VAL 4 3HG1 VAL 4 3.996 5.622 7.428 38 2HG1 VAL 4 2HG1 VAL 4 4.319 5.289 9.130 39 3HG1 VAL 4 1HG1 VAL 4 4.928 4.197 7.886 40 1HG2 VAL 4 3HG2 VAL 4 1.249 5.486 8.349 41 2HG2 VAL 4 2HG2 VAL 4 1.055 4.138 9.469 42 3HG2 VAL 4 1HG2 VAL 4 2.245 5.398 9.801 43 H ILE 5 H ILE 5 3.875 4.270 4.930 44 HA ILE 5 HA ILE 5 4.763 1.454 4.571 45 HB ILE 5 HB ILE 5 5.316 3.790 2.731 46 1HG1 ILE 5 2HG1 ILE 5 2.782 3.196 3.402 47 2HG1 ILE 5 1HG1 ILE 5 3.220 3.634 1.767 48 1HG2 ILE 5 3HG2 ILE 5 5.738 0.880 2.708 49 2HG2 ILE 5 2HG2 ILE 5 5.002 1.502 1.232 50 3HG2 ILE 5 1HG2 ILE 5 6.545 2.147 1.785 51 1HD1 ILE 5 2HD1 ILE 5 3.495 1.174 1.269 52 2HD1 ILE 5 1HD1 ILE 5 2.818 0.848 2.865 53 3HD1 ILE 5 3HD1 ILE 5 1.845 1.669 1.644 54 H ASN 6 H ASN 6 6.727 0.931 5.365 55 HA ASN 6 HA ASN 6 8.668 3.151 5.843 56 1HB ASN 6 2HB ASN 6 8.922 0.547 7.285 57 2HB ASN 6 1HB ASN 6 9.319 2.174 7.834 58 1HD2 ASN 6 2HD2 ASN 6 6.362 2.187 9.715 59 2HD2 ASN 6 1HD2 ASN 6 8.042 2.421 9.665 60 H GLY 7 H GLY 7 9.901 3.021 3.975 61 1HA GLY 7 2HA GLY 7 10.645 0.493 2.775 62 2HA GLY 7 1HA GLY 7 11.315 2.073 2.350 63 H GLU 8 H GLU 8 11.644 2.001 5.582 64 HA GLU 8 HA GLU 8 14.475 1.326 5.394 65 1HB GLU 8 2HB GLU 8 13.804 3.217 6.786 66 2HB GLU 8 1HB GLU 8 12.766 2.167 7.750 67 1HG GLU 8 2HG GLU 8 14.501 1.495 9.020 68 2HG GLU 8 1HG GLU 8 15.464 1.104 7.595 69 H GLN 9 H GLN 9 11.615 -0.349 6.063 70 HA GLN 9 HA GLN 9 13.173 -2.547 7.352 71 1HB GLN 9 2HB GLN 9 11.459 -1.517 8.856 72 2HB GLN 9 1HB GLN 9 10.218 -1.971 7.687 73 1HG GLN 9 2HG GLN 9 10.500 -3.613 9.584 74 2HG GLN 9 1HG GLN 9 10.705 -4.320 7.981 75 1HE2 GLN 9 2HE2 GLN 9 13.803 -4.343 10.584 76 2HE2 GLN 9 1HE2 GLN 9 12.279 -3.735 11.018 77 H ILE 10 H ILE 10 11.091 -1.585 4.801 78 HA ILE 10 HA ILE 10 10.203 -4.235 4.028 79 HB ILE 10 HB ILE 10 10.376 -1.657 2.439 80 1HG1 ILE 10 2HG1 ILE 10 8.877 -1.640 4.449 81 2HG1 ILE 10 1HG1 ILE 10 7.997 -1.459 2.933 82 1HG2 ILE 10 1HG2 ILE 10 9.412 -4.408 1.785 83 2HG2 ILE 10 3HG2 ILE 10 8.462 -3.044 1.191 84 3HG2 ILE 10 2HG2 ILE 10 10.160 -3.200 0.739 85 1HD1 ILE 10 2HD1 ILE 10 7.913 -4.124 3.102 86 2HD1 ILE 10 1HD1 ILE 10 8.070 -3.770 4.822 87 3HD1 ILE 10 3HD1 ILE 10 6.714 -3.111 3.905 88 H ARG 11 H ARG 11 11.834 -5.677 3.621 89 HA ARG 11 HA ARG 11 14.344 -4.944 2.354 90 1HB ARG 11 2HB ARG 11 13.463 -7.764 2.102 91 2HB ARG 11 1HB ARG 11 14.974 -7.112 2.741 92 1HG ARG 11 2HG ARG 11 13.605 -6.350 4.767 93 2HG ARG 11 1HG ARG 11 12.322 -7.392 4.148 94 1HD ARG 11 2HD ARG 11 15.029 -8.608 4.307 95 2HD ARG 11 1HD ARG 11 14.239 -8.274 5.847 96 HE ARG 11 HE ARG 11 12.702 -10.001 5.368 97 1HH1 ARG 11 2HH1 ARG 11 11.155 -10.103 3.329 98 2HH1 ARG 11 1HH1 ARG 11 11.939 -10.862 1.983 99 1HH2 ARG 11 1HH2 ARG 11 15.129 -10.500 3.296 100 2HH2 ARG 11 2HH2 ARG 11 14.189 -11.085 1.963 101 H SER 12 H SER 12 11.342 -6.470 1.299 102 HA SER 12 HA SER 12 11.911 -5.594 -1.475 103 1HB SER 12 2HB SER 12 12.434 -8.225 -0.696 104 2HB SER 12 1HB SER 12 10.847 -8.310 -1.456 105 HG SER 12 HG SER 12 12.682 -8.497 -2.911 106 H ILE 13 H ILE 13 9.868 -6.146 -2.870 107 HA ILE 13 HA ILE 13 7.619 -4.858 -1.793 108 HB ILE 13 HB ILE 13 7.779 -5.203 -4.179 109 1HG1 ILE 13 2HG1 ILE 13 5.561 -6.197 -4.665 110 2HG1 ILE 13 1HG1 ILE 13 5.510 -6.864 -3.033 111 1HG2 ILE 13 2HG2 ILE 13 8.400 -7.907 -3.324 112 2HG2 ILE 13 1HG2 ILE 13 7.154 -7.911 -4.573 113 3HG2 ILE 13 3HG2 ILE 13 8.707 -7.136 -4.880 114 1HD1 ILE 13 2HD1 ILE 13 6.105 -4.170 -2.635 115 2HD1 ILE 13 1HD1 ILE 13 4.922 -4.154 -3.942 116 3HD1 ILE 13 3HD1 ILE 13 4.530 -4.929 -2.408 117 H SER 14 H SER 14 8.663 -8.172 -1.433 118 HA SER 14 HA SER 14 6.261 -9.429 -0.663 119 1HB SER 14 2HB SER 14 9.085 -9.814 0.363 120 2HB SER 14 1HB SER 14 7.747 -10.877 0.789 121 HG SER 14 HG SER 14 9.235 -11.187 -1.238 122 H ASP 15 H ASP 15 8.554 -7.565 1.347 123 HA ASP 15 HA ASP 15 6.918 -7.802 3.725 124 1HB ASP 15 2HB ASP 15 9.462 -6.582 2.952 125 2HB ASP 15 1HB ASP 15 8.546 -5.586 4.079 126 H LEU 16 H LEU 16 6.930 -5.802 0.952 127 HA LEU 16 HA LEU 16 5.679 -3.454 2.023 128 1HB LEU 16 2HB LEU 16 6.717 -3.660 -0.265 129 2HB LEU 16 1HB LEU 16 5.322 -4.618 -0.749 130 HG LEU 16 HG LEU 16 4.002 -2.783 -0.971 131 1HD1 LEU 16 2HD1 LEU 16 5.319 -1.695 1.538 132 2HD1 LEU 16 1HD1 LEU 16 4.065 -0.840 0.643 133 3HD1 LEU 16 3HD1 LEU 16 3.704 -2.389 1.404 134 1HD2 LEU 16 1HD2 LEU 16 6.696 -1.448 -0.660 135 2HD2 LEU 16 3HD2 LEU 16 5.996 -2.063 -2.157 136 3HD2 LEU 16 2HD2 LEU 16 5.273 -0.668 -1.354 137 H HIS 17 H HIS 17 4.289 -6.240 0.272 138 HA HIS 17 HA HIS 17 1.572 -5.564 0.717 139 1HB HIS 17 2HB HIS 17 2.898 -8.264 0.375 140 2HB HIS 17 1HB HIS 17 1.147 -8.019 0.358 141 HD1 HIS 17 HD1 HIS 17 0.242 -6.340 -1.552 142 HD2 HIS 17 HD2 HIS 17 4.158 -7.681 -2.038 143 HE1 HIS 17 HE1 HIS 17 0.877 -5.837 -3.950 144 H GLN 18 H GLN 18 3.968 -6.712 2.855 145 HA GLN 18 HA GLN 18 2.100 -7.820 4.815 146 1HB GLN 18 2HB GLN 18 5.044 -7.127 4.992 147 2HB GLN 18 1HB GLN 18 4.131 -7.900 6.287 148 1HG GLN 18 2HG GLN 18 3.469 -9.639 4.458 149 2HG GLN 18 1HG GLN 18 4.859 -8.999 3.580 150 1HE2 GLN 18 2HE2 GLN 18 7.005 -11.091 5.418 151 2HE2 GLN 18 1HE2 GLN 18 6.572 -10.430 3.916 152 H THR 19 H THR 19 3.802 -4.846 4.223 153 HA THR 19 HA THR 19 3.086 -3.585 6.725 154 HB THR 19 HB THR 19 4.153 -2.574 4.092 155 HG1 THR 19 HG1 THR 19 5.756 -1.868 5.834 156 1HG2 THR 19 1HG2 THR 19 2.694 -1.054 6.088 157 2HG2 THR 19 3HG2 THR 19 4.360 -0.491 5.957 158 3HG2 THR 19 2HG2 THR 19 3.327 -0.528 4.528 159 H LEU 20 H LEU 20 1.671 -3.724 3.538 160 HA LEU 20 HA LEU 20 -0.473 -1.835 4.235 161 1HB LEU 20 2HB LEU 20 -0.735 -3.708 1.915 162 2HB LEU 20 1HB LEU 20 -1.199 -2.011 2.036 163 HG LEU 20 HG LEU 20 1.649 -3.006 1.938 164 1HD1 LEU 20 1HD1 LEU 20 -0.180 -1.889 -0.188 165 2HD1 LEU 20 3HD1 LEU 20 1.577 -1.864 -0.349 166 3HD1 LEU 20 2HD1 LEU 20 0.723 -3.404 -0.221 167 1HD2 LEU 20 3HD2 LEU 20 1.038 -0.794 3.126 168 2HD2 LEU 20 2HD2 LEU 20 2.276 -0.718 1.872 169 3HD2 LEU 20 1HD2 LEU 20 0.629 -0.198 1.517 170 H LYS 21 H LYS 21 0.126 -5.260 4.085 171 HA LYS 21 HA LYS 21 -2.631 -6.054 4.566 172 1HB LYS 21 2HB LYS 21 -1.206 -7.701 3.574 173 2HB LYS 21 1HB LYS 21 0.016 -7.493 4.832 174 1HG LYS 21 2HG LYS 21 -1.184 -8.707 6.389 175 2HG LYS 21 1HG LYS 21 -2.739 -8.271 5.680 176 1HD LYS 21 2HD LYS 21 -2.675 -9.976 4.142 177 2HD LYS 21 1HD LYS 21 -0.918 -9.920 3.999 178 1HE LYS 21 2HE LYS 21 -1.911 -10.733 6.659 179 2HE LYS 21 1HE LYS 21 -2.281 -11.864 5.358 180 1HZ LYS 21 1HZ LYS 21 0.183 -11.495 4.737 181 2HZ LYS 21 3HZ LYS 21 0.341 -10.960 6.339 182 3HZ LYS 21 2HZ LYS 21 -0.201 -12.538 6.022 183 H LYS 22 H LYS 22 0.022 -4.953 6.495 184 HA LYS 22 HA LYS 22 -1.118 -5.971 9.011 185 1HB LYS 22 2HB LYS 22 1.228 -5.926 9.084 186 2HB LYS 22 1HB LYS 22 1.320 -4.377 8.248 187 1HG LYS 22 2HG LYS 22 1.856 -4.072 10.618 188 2HG LYS 22 1HG LYS 22 0.330 -3.269 10.240 189 1HD LYS 22 2HD LYS 22 -0.809 -5.453 10.985 190 2HD LYS 22 1HD LYS 22 0.751 -5.889 11.684 191 1HE LYS 22 2HE LYS 22 0.275 -3.232 12.494 192 2HE LYS 22 1HE LYS 22 -1.256 -4.081 12.717 193 1HZ LYS 22 3HZ LYS 22 1.269 -5.304 13.615 194 2HZ LYS 22 2HZ LYS 22 0.487 -4.149 14.586 195 3HZ LYS 22 1HZ LYS 22 -0.310 -5.588 14.163 196 H GLU 23 H GLU 23 -0.684 -2.803 7.406 197 HA GLU 23 HA GLU 23 -2.048 -1.377 9.535 198 1HB GLU 23 2HB GLU 23 -1.619 -0.403 6.711 199 2HB GLU 23 1HB GLU 23 -1.801 0.568 8.172 200 1HG GLU 23 2HG GLU 23 0.400 -1.405 8.254 201 2HG GLU 23 1HG GLU 23 0.612 -0.098 7.088 202 H LEU 24 H LEU 24 -2.916 -2.308 6.259 203 HA LEU 24 HA LEU 24 -5.631 -1.365 6.428 204 1HB LEU 24 2HB LEU 24 -4.639 -3.578 4.619 205 2HB LEU 24 1HB LEU 24 -5.955 -2.442 4.323 206 HG LEU 24 HG LEU 24 -3.119 -1.487 4.723 207 1HD1 LEU 24 1HD1 LEU 24 -4.382 -2.747 2.339 208 2HD1 LEU 24 3HD1 LEU 24 -3.363 -1.332 2.071 209 3HD1 LEU 24 2HD1 LEU 24 -2.698 -2.759 2.864 210 1HD2 LEU 24 3HD2 LEU 24 -5.509 -0.151 4.591 211 2HD2 LEU 24 2HD2 LEU 24 -3.949 0.550 4.167 212 3HD2 LEU 24 1HD2 LEU 24 -4.988 -0.111 2.906 213 H ALA 25 H ALA 25 -3.989 -4.298 7.372 214 HA ALA 25 HA ALA 25 -4.785 -6.032 8.757 215 1HB ALA 25 2HB ALA 25 -6.648 -3.946 9.138 216 2HB ALA 25 1HB ALA 25 -7.602 -5.395 8.817 217 3HB ALA 25 3HB ALA 25 -6.435 -5.381 10.142 218 H LEU 26 H LEU 26 -4.485 -6.586 6.128 219 HA LEU 26 HA LEU 26 -6.962 -7.585 4.941 220 1HB LEU 26 2HB LEU 26 -4.136 -8.278 4.092 221 2HB LEU 26 1HB LEU 26 -5.594 -8.259 3.101 222 HG LEU 26 HG LEU 26 -4.447 -5.797 4.433 223 1HD1 LEU 26 1HD1 LEU 26 -3.475 -7.196 2.177 224 2HD1 LEU 26 3HD1 LEU 26 -4.349 -5.800 1.547 225 3HD1 LEU 26 2HD1 LEU 26 -3.030 -5.570 2.696 226 1HD2 LEU 26 1HD2 LEU 26 -6.984 -6.346 3.379 227 2HD2 LEU 26 3HD2 LEU 26 -6.309 -4.748 3.707 228 3HD2 LEU 26 2HD2 LEU 26 -6.153 -5.459 2.099 229 HA PRO 27 HA PRO 27 -6.927 -11.625 6.612 230 1HB PRO 27 2HB PRO 27 -7.723 -13.138 4.460 231 2HB PRO 27 1HB PRO 27 -8.809 -12.069 5.369 232 1HG PRO 27 2HG PRO 27 -7.591 -11.662 2.679 233 2HG PRO 27 1HG PRO 27 -9.109 -11.022 3.328 234 1HD PRO 27 2HD PRO 27 -6.687 -9.609 3.077 235 2HD PRO 27 1HD PRO 27 -8.086 -9.097 4.045 236 H GLU 28 H GLU 28 -6.326 -14.079 5.675 237 HA GLU 28 HA GLU 28 -3.415 -14.006 5.458 238 1HB GLU 28 2HB GLU 28 -4.547 -15.684 6.858 239 2HB GLU 28 1HB GLU 28 -5.355 -16.336 5.429 240 1HG GLU 28 2HG GLU 28 -2.970 -16.622 4.462 241 2HG GLU 28 1HG GLU 28 -2.421 -16.415 6.125 242 H TYR 29 H TYR 29 -6.088 -15.140 3.370 243 HA TYR 29 HA TYR 29 -4.361 -16.093 1.291 244 1HB TYR 29 2HB TYR 29 -6.425 -16.010 -0.125 245 2HB TYR 29 1HB TYR 29 -6.641 -16.872 1.401 246 HD1 TYR 29 HD1 TYR 29 -6.893 -13.384 0.036 247 HD2 TYR 29 HD2 TYR 29 -8.494 -16.347 2.699 248 HE1 TYR 29 HE1 TYR 29 -8.761 -11.855 0.612 249 HE2 TYR 29 HE2 TYR 29 -10.357 -14.816 3.284 250 HH TYR 29 HH TYR 29 -10.716 -11.663 1.677 251 H TYR 30 H TYR 30 -4.865 -12.954 2.295 252 HA TYR 30 HA TYR 30 -5.208 -11.222 0.240 253 1HB TYR 30 2HB TYR 30 -4.395 -10.493 2.430 254 2HB TYR 30 1HB TYR 30 -2.828 -11.236 2.120 255 HD1 TYR 30 HD1 TYR 30 -4.866 -9.390 -0.384 256 HD2 TYR 30 HD2 TYR 30 -1.451 -9.294 2.221 257 HE1 TYR 30 HE1 TYR 30 -4.093 -7.292 -1.468 258 HE2 TYR 30 HE2 TYR 30 -0.677 -7.208 1.134 259 HH TYR 30 HH TYR 30 -1.961 -5.245 -0.200 260 H GLY 31 H GLY 31 -4.595 -11.300 -1.858 261 1HA GLY 31 2HA GLY 31 -2.529 -13.015 -2.846 262 2HA GLY 31 1HA GLY 31 -3.327 -11.747 -3.779 263 H GLU 32 H GLU 32 -2.241 -10.054 -1.245 264 HA GLU 32 HA GLU 32 -0.461 -8.527 -1.050 265 1HB GLU 32 2HB GLU 32 1.108 -10.952 -1.980 266 2HB GLU 32 1HB GLU 32 1.778 -9.539 -1.163 267 1HG GLU 32 2HG GLU 32 0.977 -10.173 0.882 268 2HG GLU 32 1HG GLU 32 -0.505 -10.849 0.204 269 H ASN 33 H ASN 33 -1.813 -8.082 -3.344 270 HA ASN 33 HA ASN 33 0.311 -7.140 -5.148 271 1HB ASN 33 2HB ASN 33 -1.302 -8.139 -7.072 272 2HB ASN 33 1HB ASN 33 0.085 -9.025 -6.439 273 1HD2 ASN 33 2HD2 ASN 33 -3.439 -10.090 -4.631 274 2HD2 ASN 33 1HD2 ASN 33 -3.004 -8.452 -4.725 275 H LEU 34 H LEU 34 -1.165 -6.170 -7.214 276 HA LEU 34 HA LEU 34 -2.735 -4.089 -5.885 277 1HB LEU 34 2HB LEU 34 -3.133 -3.413 -8.391 278 2HB LEU 34 1HB LEU 34 -1.539 -3.190 -7.671 279 HG LEU 34 HG LEU 34 -1.980 -5.859 -8.849 280 1HD1 LEU 34 2HD1 LEU 34 -3.221 -4.463 -10.466 281 2HD1 LEU 34 1HD1 LEU 34 -1.827 -3.391 -10.607 282 3HD1 LEU 34 3HD1 LEU 34 -1.717 -5.060 -11.168 283 1HD2 LEU 34 2HD2 LEU 34 0.147 -4.162 -8.106 284 2HD2 LEU 34 1HD2 LEU 34 0.276 -5.742 -8.879 285 3HD2 LEU 34 3HD2 LEU 34 0.232 -4.280 -9.864 286 H ASP 35 H ASP 35 -3.450 -7.141 -7.255 287 HA ASP 35 HA ASP 35 -6.187 -6.458 -8.037 288 1HB ASP 35 2HB ASP 35 -6.166 -9.187 -7.719 289 2HB ASP 35 1HB ASP 35 -5.837 -8.346 -9.227 290 H ALA 36 H ALA 36 -4.737 -8.439 -5.431 291 HA ALA 36 HA ALA 36 -7.265 -8.656 -4.025 292 1HB ALA 36 2HB ALA 36 -5.310 -10.294 -3.863 293 2HB ALA 36 1HB ALA 36 -4.513 -9.090 -2.851 294 3HB ALA 36 3HB ALA 36 -6.033 -9.813 -2.328 295 H LEU 37 H LEU 37 -4.505 -6.559 -3.948 296 HA LEU 37 HA LEU 37 -5.136 -5.199 -1.478 297 1HB LEU 37 2HB LEU 37 -2.908 -5.033 -2.426 298 2HB LEU 37 1HB LEU 37 -3.559 -4.341 -3.909 299 HG LEU 37 HG LEU 37 -4.564 -2.757 -1.804 300 1HD1 LEU 37 2HD1 LEU 37 -1.802 -3.758 -1.338 301 2HD1 LEU 37 1HD1 LEU 37 -2.051 -2.024 -1.133 302 3HD1 LEU 37 3HD1 LEU 37 -2.995 -3.169 -0.181 303 1HD2 LEU 37 1HD2 LEU 37 -3.326 -2.485 -4.294 304 2HD2 LEU 37 3HD2 LEU 37 -3.915 -1.167 -3.285 305 3HD2 LEU 37 2HD2 LEU 37 -2.228 -1.667 -3.182 306 H TRP 38 H TRP 38 -5.539 -4.227 -4.896 307 HA TRP 38 HA TRP 38 -7.158 -1.947 -4.401 308 1HB TRP 38 2HB TRP 38 -6.235 -2.424 -6.615 309 2HB TRP 38 1HB TRP 38 -7.119 -3.936 -6.679 310 HD1 TRP 38 HD1 TRP 38 -9.097 -3.841 -8.126 311 HE1 TRP 38 HE1 TRP 38 -10.830 -2.082 -8.866 312 HE3 TRP 38 HE3 TRP 38 -7.433 0.219 -5.497 313 HZ2 TRP 38 HZ2 TRP 38 -11.415 0.675 -8.423 314 HZ3 TRP 38 HZ3 TRP 38 -8.573 2.397 -5.706 315 HH2 TRP 38 HH2 TRP 38 -10.571 2.631 -7.153 316 H ASP 39 H ASP 39 -7.911 -5.339 -4.795 317 HA ASP 39 HA ASP 39 -10.740 -5.153 -4.647 318 1HB ASP 39 2HB ASP 39 -8.719 -7.265 -4.292 319 2HB ASP 39 1HB ASP 39 -10.203 -7.521 -3.368 320 H ALA 40 H ALA 40 -8.255 -5.131 -2.184 321 HA ALA 40 HA ALA 40 -10.220 -5.242 0.007 322 1HB ALA 40 1HB ALA 40 -7.749 -6.060 0.073 323 2HB ALA 40 3HB ALA 40 -7.358 -4.361 0.336 324 3HB ALA 40 2HB ALA 40 -8.394 -5.215 1.481 325 H LEU 41 H LEU 41 -7.705 -2.820 -0.690 326 HA LEU 41 HA LEU 41 -8.443 -0.651 0.677 327 1HB LEU 41 2HB LEU 41 -7.483 -0.938 -2.108 328 2HB LEU 41 1HB LEU 41 -8.077 0.652 -1.638 329 HG LEU 41 HG LEU 41 -6.216 -0.761 0.227 330 1HD1 LEU 41 2HD1 LEU 41 -5.204 -1.013 -2.017 331 2HD1 LEU 41 1HD1 LEU 41 -5.346 0.732 -2.266 332 3HD1 LEU 41 3HD1 LEU 41 -4.276 0.099 -1.007 333 1HD2 LEU 41 3HD2 LEU 41 -7.219 1.418 0.824 334 2HD2 LEU 41 2HD2 LEU 41 -5.468 1.546 0.644 335 3HD2 LEU 41 1HD2 LEU 41 -6.533 2.122 -0.640 336 H THR 42 H THR 42 -9.915 -1.147 -2.507 337 HA THR 42 HA THR 42 -12.107 0.659 -1.733 338 HB THR 42 HB THR 42 -11.406 0.830 -4.023 339 HG1 THR 42 HG1 THR 42 -13.685 -0.741 -4.346 340 1HG2 THR 42 3HG2 THR 42 -11.470 -2.133 -3.854 341 2HG2 THR 42 2HG2 THR 42 -11.936 -1.422 -5.400 342 3HG2 THR 42 1HG2 THR 42 -10.347 -1.076 -4.713 343 H GLY 43 H GLY 43 -12.500 -1.021 0.122 344 1HA GLY 43 2HA GLY 43 -14.878 -2.074 0.339 345 2HA GLY 43 1HA GLY 43 -14.247 -3.234 -0.835 346 H TRP 44 H TRP 44 -12.338 -1.808 1.815 347 HA TRP 44 HA TRP 44 -12.665 -3.994 3.649 348 1HB TRP 44 2HB TRP 44 -11.552 -5.319 1.923 349 2HB TRP 44 1HB TRP 44 -10.251 -4.135 1.824 350 HD1 TRP 44 HD1 TRP 44 -9.072 -3.665 4.413 351 HE1 TRP 44 HE1 TRP 44 -8.277 -5.478 6.064 352 HE3 TRP 44 HE3 TRP 44 -11.736 -7.660 2.686 353 HZ2 TRP 44 HZ2 TRP 44 -8.716 -8.261 6.583 354 HZ3 TRP 44 HZ3 TRP 44 -11.531 -9.877 3.773 355 HH2 TRP 44 HH2 TRP 44 -10.024 -10.183 5.718 356 H VAL 45 H VAL 45 -10.189 -1.841 2.317 357 HA VAL 45 HA VAL 45 -8.696 -1.383 4.636 358 HB VAL 45 HB VAL 45 -9.235 0.088 2.115 359 1HG1 VAL 45 3HG1 VAL 45 -8.033 1.349 4.571 360 2HG1 VAL 45 2HG1 VAL 45 -7.633 1.897 2.944 361 3HG1 VAL 45 1HG1 VAL 45 -9.299 1.982 3.519 362 1HG2 VAL 45 2HG2 VAL 45 -6.837 -0.982 3.600 363 2HG2 VAL 45 1HG2 VAL 45 -7.489 -1.521 2.054 364 3HG2 VAL 45 3HG2 VAL 45 -6.671 0.036 2.169 365 H GLU 46 H GLU 46 -11.846 -0.183 3.840 366 HA GLU 46 HA GLU 46 -13.341 1.136 5.089 367 1HB GLU 46 2HB GLU 46 -12.424 -0.476 6.900 368 2HB GLU 46 1HB GLU 46 -11.426 0.887 7.409 369 1HG GLU 46 2HG GLU 46 -13.682 2.219 7.361 370 2HG GLU 46 1HG GLU 46 -14.421 0.621 7.452 371 H TYR 47 H TYR 47 -13.157 3.141 4.180 372 HA TYR 47 HA TYR 47 -10.820 4.850 4.832 373 1HB TYR 47 2HB TYR 47 -13.110 5.186 2.866 374 2HB TYR 47 1HB TYR 47 -11.715 6.259 2.986 375 HD1 TYR 47 HD2 TYR 47 -9.371 4.812 3.175 376 HD2 TYR 47 HD1 TYR 47 -12.976 3.618 1.153 377 HE1 TYR 47 HE2 TYR 47 -8.061 3.255 1.755 378 HE2 TYR 47 HE1 TYR 47 -11.656 2.069 -0.268 379 HH TYR 47 HH TYR 47 -9.429 1.742 -1.019 380 HA PRO 48 HA PRO 48 -11.015 7.397 4.085 381 1HB PRO 48 2HB PRO 48 -9.968 9.283 5.782 382 2HB PRO 48 1HB PRO 48 -11.398 9.543 4.763 383 1HG PRO 48 2HG PRO 48 -11.251 9.013 7.704 384 2HG PRO 48 1HG PRO 48 -12.445 9.951 6.789 385 1HD PRO 48 2HD PRO 48 -12.857 7.355 7.741 386 2HD PRO 48 1HD PRO 48 -13.784 8.114 6.427 387 H LEU 49 H LEU 49 -8.751 7.157 3.933 388 HA LEU 49 HA LEU 49 -7.430 5.816 6.252 389 1HB LEU 49 2HB LEU 49 -7.823 4.048 4.740 390 2HB LEU 49 1HB LEU 49 -7.516 5.063 3.335 391 HG LEU 49 HG LEU 49 -5.089 5.243 4.256 392 1HD1 LEU 49 2HD1 LEU 49 -6.353 3.339 6.105 393 2HD1 LEU 49 1HD1 LEU 49 -4.852 2.745 5.394 394 3HD1 LEU 49 3HD1 LEU 49 -4.862 4.263 6.291 395 1HD2 LEU 49 1HD2 LEU 49 -6.445 3.277 2.645 396 2HD2 LEU 49 3HD2 LEU 49 -4.831 3.955 2.443 397 3HD2 LEU 49 2HD2 LEU 49 -5.073 2.541 3.471 398 H VAL 50 H VAL 50 -5.099 6.130 6.329 399 HA VAL 50 HA VAL 50 -4.176 8.504 4.746 400 HB VAL 50 HB VAL 50 -3.950 7.832 7.646 401 1HG1 VAL 50 3HG1 VAL 50 -1.679 8.898 5.985 402 2HG1 VAL 50 2HG1 VAL 50 -1.903 9.482 7.633 403 3HG1 VAL 50 1HG1 VAL 50 -1.630 7.764 7.336 404 1HG2 VAL 50 3HG2 VAL 50 -5.247 9.743 6.358 405 2HG2 VAL 50 2HG2 VAL 50 -4.477 10.077 7.909 406 3HG2 VAL 50 1HG2 VAL 50 -3.676 10.543 6.409 407 H LEU 51 H LEU 51 -2.965 7.506 3.128 408 HA LEU 51 HA LEU 51 -1.294 5.174 3.793 409 1HB LEU 51 2HB LEU 51 -2.484 5.366 1.595 410 2HB LEU 51 1HB LEU 51 -1.457 6.750 1.212 411 HG LEU 51 HG LEU 51 0.525 5.152 1.703 412 1HD1 LEU 51 3HD1 LEU 51 -1.629 3.438 2.260 413 2HD1 LEU 51 2HD1 LEU 51 -0.943 2.881 0.728 414 3HD1 LEU 51 1HD1 LEU 51 0.080 3.007 2.164 415 1HD2 LEU 51 2HD2 LEU 51 -1.281 4.785 -0.691 416 2HD2 LEU 51 1HD2 LEU 51 0.070 5.915 -0.547 417 3HD2 LEU 51 3HD2 LEU 51 0.364 4.178 -0.598 418 H GLU 52 H GLU 52 -0.211 6.822 5.438 419 HA GLU 52 HA GLU 52 1.602 8.807 4.454 420 1HB GLU 52 2HB GLU 52 1.099 8.800 6.801 421 2HB GLU 52 1HB GLU 52 1.595 7.113 6.967 422 1HG GLU 52 2HG GLU 52 3.728 7.729 7.330 423 2HG GLU 52 1HG GLU 52 3.754 8.657 5.830 424 H TRP 53 H TRP 53 2.636 7.815 2.598 425 HA TRP 53 HA TRP 53 4.184 5.367 2.956 426 1HB TRP 53 2HB TRP 53 3.060 6.330 0.787 427 2HB TRP 53 1HB TRP 53 4.577 7.221 0.633 428 HD1 TRP 53 HD1 TRP 53 6.828 5.423 1.144 429 HE1 TRP 53 HE1 TRP 53 7.190 3.140 -0.002 430 HE3 TRP 53 HE3 TRP 53 2.087 4.472 -0.399 431 HZ2 TRP 53 HZ2 TRP 53 5.643 1.170 -1.393 432 HZ3 TRP 53 HZ3 TRP 53 1.531 2.401 -1.630 433 HH2 TRP 53 HH2 TRP 53 3.312 0.738 -2.131 434 H ARG 54 H ARG 54 5.854 5.756 4.481 435 HA ARG 54 HA ARG 54 7.432 8.117 4.635 436 1HB ARG 54 2HB ARG 54 8.398 5.291 5.185 437 2HB ARG 54 1HB ARG 54 9.053 6.784 5.857 438 1HG ARG 54 2HG ARG 54 6.146 6.185 6.266 439 2HG ARG 54 1HG ARG 54 7.334 5.329 7.250 440 1HD ARG 54 2HD ARG 54 8.306 7.844 7.460 441 2HD ARG 54 1HD ARG 54 6.591 8.207 7.254 442 HE ARG 54 HE ARG 54 6.627 6.218 9.190 443 1HH1 ARG 54 1HH2 ARG 54 9.355 7.808 9.503 444 2HH1 ARG 54 2HH2 ARG 54 8.927 8.814 10.845 445 1HH2 ARG 54 2HH1 ARG 54 5.531 8.155 10.600 446 2HH2 ARG 54 1HH1 ARG 54 6.762 9.012 11.466 447 H GLN 55 H GLN 55 8.633 8.959 2.976 448 HA GLN 55 HA GLN 55 9.917 9.027 1.003 449 1HB GLN 55 2HB GLN 55 10.974 6.459 2.235 450 2HB GLN 55 1HB GLN 55 11.734 7.312 0.892 451 1HG GLN 55 2HG GLN 55 11.136 9.056 3.173 452 2HG GLN 55 1HG GLN 55 12.273 7.764 3.562 453 1HE2 GLN 55 2HE2 GLN 55 13.698 10.906 1.630 454 2HE2 GLN 55 1HE2 GLN 55 12.301 10.897 2.596 455 H PHE 56 H PHE 56 10.778 6.568 -0.476 456 HA PHE 56 HA PHE 56 8.555 4.878 -1.019 457 1HB PHE 56 2HB PHE 56 7.519 7.043 -1.739 458 2HB PHE 56 1HB PHE 56 8.790 7.207 -2.951 459 HD1 PHE 56 HD2 PHE 56 6.174 4.805 -1.765 460 HD2 PHE 56 HD1 PHE 56 8.508 6.240 -5.070 461 HE1 PHE 56 HE2 PHE 56 4.899 3.344 -3.296 462 HE2 PHE 56 HE1 PHE 56 7.231 4.778 -6.606 463 HZ PHE 56 HZ PHE 56 5.424 3.326 -5.723 464 H GLU 57 H GLU 57 10.767 6.749 -3.129 465 HA GLU 57 HA GLU 57 11.470 4.830 -4.963 466 1HB GLU 57 2HB GLU 57 13.363 6.751 -3.577 467 2HB GLU 57 1HB GLU 57 13.711 5.906 -5.086 468 1HG GLU 57 2HG GLU 57 11.159 7.108 -5.394 469 2HG GLU 57 1HG GLU 57 12.217 8.334 -4.697 470 H GLN 58 H GLN 58 12.354 4.830 -1.574 471 HA GLN 58 HA GLN 58 14.523 2.968 -1.745 472 1HB GLN 58 2HB GLN 58 13.500 2.355 0.690 473 2HB GLN 58 1HB GLN 58 14.524 3.756 0.395 474 1HG GLN 58 2HG GLN 58 12.619 5.213 0.224 475 2HG GLN 58 1HG GLN 58 11.502 3.849 0.211 476 1HE2 GLN 58 2HE2 GLN 58 11.172 4.358 3.700 477 2HE2 GLN 58 1HE2 GLN 58 10.397 4.371 2.190 478 H SER 59 H SER 59 11.293 2.132 -0.431 479 HA SER 59 HA SER 59 11.621 -0.659 -0.885 480 1HB SER 59 2HB SER 59 8.880 0.522 -0.979 481 2HB SER 59 1HB SER 59 9.468 -0.884 -0.089 482 HG SER 59 HG SER 59 9.611 1.847 0.533 483 H LYS 60 H LYS 60 10.926 1.890 -3.057 484 HA LYS 60 HA LYS 60 9.545 0.230 -5.039 485 1HB LYS 60 2HB LYS 60 9.188 2.722 -4.680 486 2HB LYS 60 1HB LYS 60 10.761 2.961 -5.447 487 1HG LYS 60 2HG LYS 60 9.831 1.505 -7.369 488 2HG LYS 60 1HG LYS 60 8.248 1.804 -6.652 489 1HD LYS 60 2HD LYS 60 8.236 3.703 -7.886 490 2HD LYS 60 1HD LYS 60 9.375 4.325 -6.690 491 1HE LYS 60 2HE LYS 60 10.834 4.568 -8.397 492 2HE LYS 60 1HE LYS 60 10.974 2.810 -8.390 493 1HZ LYS 60 3HZ LYS 60 8.677 3.908 -9.790 494 2HZ LYS 60 2HZ LYS 60 10.190 4.199 -10.507 495 3HZ LYS 60 1HZ LYS 60 9.681 2.606 -10.205 496 H GLN 61 H GLN 61 12.842 1.159 -4.333 497 HA GLN 61 HA GLN 61 13.836 0.585 -7.013 498 1HB GLN 61 2HB GLN 61 14.899 2.192 -5.358 499 2HB GLN 61 1HB GLN 61 15.461 0.769 -4.480 500 1HG GLN 61 2HG GLN 61 16.874 0.091 -6.218 501 2HG GLN 61 1HG GLN 61 15.986 1.014 -7.431 502 1HE2 GLN 61 2HE2 GLN 61 19.039 2.984 -6.792 503 2HE2 GLN 61 1HE2 GLN 61 18.635 1.513 -7.536 504 H LEU 62 H LEU 62 14.609 -0.904 -3.933 505 HA LEU 62 HA LEU 62 15.917 -3.165 -4.703 506 1HB LEU 62 2HB LEU 62 14.187 -4.254 -2.814 507 2HB LEU 62 1HB LEU 62 15.734 -3.473 -2.479 508 HG LEU 62 HG LEU 62 14.624 -1.319 -2.204 509 1HD1 LEU 62 3HD1 LEU 62 12.482 -2.733 -3.556 510 2HD1 LEU 62 2HD1 LEU 62 11.901 -1.968 -2.088 511 3HD1 LEU 62 1HD1 LEU 62 12.689 -0.995 -3.331 512 1HD2 LEU 62 2HD2 LEU 62 14.742 -2.867 -0.257 513 2HD2 LEU 62 1HD2 LEU 62 13.343 -1.795 -0.184 514 3HD2 LEU 62 3HD2 LEU 62 13.141 -3.476 -0.679 515 H THR 63 H THR 63 12.572 -2.529 -5.341 516 HA THR 63 HA THR 63 12.264 -5.286 -6.432 517 HB THR 63 HB THR 63 10.599 -4.371 -4.713 518 HG1 THR 63 HG1 THR 63 8.800 -5.006 -6.304 519 1HG2 THR 63 1HG2 THR 63 10.571 -2.104 -5.960 520 2HG2 THR 63 3HG2 THR 63 9.434 -2.890 -7.052 521 3HG2 THR 63 2HG2 THR 63 9.045 -2.731 -5.340 522 H GLU 64 H GLU 64 9.977 -4.340 -8.080 523 HA GLU 64 HA GLU 64 11.440 -2.699 -10.095 524 1HB GLU 64 2HB GLU 64 10.370 -4.189 -11.855 525 2HB GLU 64 1HB GLU 64 11.644 -4.950 -10.901 526 1HG GLU 64 2HG GLU 64 8.982 -5.193 -9.686 527 2HG GLU 64 1HG GLU 64 9.107 -5.978 -11.261 528 H ASN 65 H ASN 65 8.441 -3.520 -8.511 529 HA ASN 65 HA ASN 65 7.205 -1.073 -9.322 530 1HB ASN 65 2HB ASN 65 5.684 -1.750 -10.987 531 2HB ASN 65 1HB ASN 65 7.183 -2.554 -11.453 532 1HD2 ASN 65 2HD2 ASN 65 4.007 -4.841 -10.924 533 2HD2 ASN 65 1HD2 ASN 65 3.977 -3.188 -11.307 534 H GLY 66 H GLY 66 7.590 -2.758 -6.940 535 1HA GLY 66 2HA GLY 66 4.966 -3.855 -6.259 536 2HA GLY 66 1HA GLY 66 6.345 -3.704 -5.163 537 H ALA 67 H ALA 67 6.894 -1.031 -5.198 538 HA ALA 67 HA ALA 67 4.738 0.058 -3.592 539 1HB ALA 67 3HB ALA 67 7.360 0.535 -3.595 540 2HB ALA 67 2HB ALA 67 6.889 1.811 -4.717 541 3HB ALA 67 1HB ALA 67 6.213 1.774 -3.089 542 H GLU 68 H GLU 68 5.993 0.755 -6.857 543 HA GLU 68 HA GLU 68 4.299 2.922 -7.458 544 1HB GLU 68 2HB GLU 68 6.229 2.081 -8.861 545 2HB GLU 68 1HB GLU 68 5.167 0.788 -9.421 546 1HG GLU 68 2HG GLU 68 3.530 2.830 -9.913 547 2HG GLU 68 1HG GLU 68 5.050 3.721 -9.993 548 H SER 69 H SER 69 3.710 -0.564 -7.576 549 HA SER 69 HA SER 69 1.131 -0.295 -8.883 550 1HB SER 69 2HB SER 69 2.836 -2.450 -7.978 551 2HB SER 69 1HB SER 69 1.177 -2.727 -7.455 552 HG SER 69 HG SER 69 2.019 -3.322 -9.739 553 H VAL 70 H VAL 70 2.051 -1.040 -5.473 554 HA VAL 70 HA VAL 70 -0.589 -1.022 -4.494 555 HB VAL 70 HB VAL 70 1.958 -0.104 -3.120 556 1HG1 VAL 70 3HG1 VAL 70 -0.814 -0.572 -1.997 557 2HG1 VAL 70 2HG1 VAL 70 0.637 -0.346 -1.019 558 3HG1 VAL 70 1HG1 VAL 70 0.055 0.962 -2.046 559 1HG2 VAL 70 1HG2 VAL 70 1.354 -2.612 -3.888 560 2HG2 VAL 70 3HG2 VAL 70 2.202 -2.274 -2.379 561 3HG2 VAL 70 2HG2 VAL 70 0.464 -2.569 -2.366 562 H LEU 71 H LEU 71 1.490 1.476 -5.664 563 HA LEU 71 HA LEU 71 -0.096 3.553 -4.418 564 1HB LEU 71 2HB LEU 71 2.429 3.449 -5.698 565 2HB LEU 71 1HB LEU 71 1.432 4.575 -6.615 566 HG LEU 71 HG LEU 71 2.023 6.102 -5.062 567 1HD1 LEU 71 2HD1 LEU 71 -0.323 5.394 -4.264 568 2HD1 LEU 71 1HD1 LEU 71 0.529 4.583 -2.947 569 3HD1 LEU 71 3HD1 LEU 71 0.676 6.331 -3.150 570 1HD2 LEU 71 3HD2 LEU 71 3.224 3.717 -3.958 571 2HD2 LEU 71 2HD2 LEU 71 3.835 5.374 -3.958 572 3HD2 LEU 71 1HD2 LEU 71 2.736 4.837 -2.686 573 H GLN 72 H GLN 72 0.104 1.980 -7.554 574 HA GLN 72 HA GLN 72 -1.641 3.805 -8.914 575 1HB GLN 72 2HB GLN 72 -1.070 0.861 -9.301 576 2HB GLN 72 1HB GLN 72 -2.182 1.744 -10.346 577 1HG GLN 72 2HG GLN 72 -0.495 3.075 -11.248 578 2HG GLN 72 1HG GLN 72 0.561 2.859 -9.851 579 1HE2 GLN 72 2HE2 GLN 72 0.294 -0.415 -12.333 580 2HE2 GLN 72 1HE2 GLN 72 -1.121 0.425 -11.916 581 H VAL 73 H VAL 73 -2.140 1.174 -6.724 582 HA VAL 73 HA VAL 73 -5.052 1.132 -7.078 583 HB VAL 73 HB VAL 73 -3.242 -0.270 -5.097 584 1HG1 VAL 73 1HG1 VAL 73 -5.636 0.034 -4.361 585 2HG1 VAL 73 3HG1 VAL 73 -6.120 -0.838 -5.811 586 3HG1 VAL 73 2HG1 VAL 73 -5.161 -1.649 -4.583 587 1HG2 VAL 73 1HG2 VAL 73 -3.553 -0.596 -7.835 588 2HG2 VAL 73 3HG2 VAL 73 -2.929 -1.815 -6.721 589 3HG2 VAL 73 2HG2 VAL 73 -4.642 -1.809 -7.158 590 H PHE 74 H PHE 74 -2.882 1.974 -4.332 591 HA PHE 74 HA PHE 74 -4.834 2.898 -2.575 592 1HB PHE 74 2HB PHE 74 -1.941 3.406 -3.018 593 2HB PHE 74 1HB PHE 74 -2.807 4.611 -2.082 594 HD1 PHE 74 HD1 PHE 74 -1.780 1.097 -2.243 595 HD2 PHE 74 HD2 PHE 74 -3.748 4.086 0.107 596 HE1 PHE 74 HE1 PHE 74 -1.667 -0.397 -0.293 597 HE2 PHE 74 HE2 PHE 74 -3.670 2.578 2.063 598 HZ PHE 74 HZ PHE 74 -2.633 0.351 1.865 599 H ARG 75 H ARG 75 -2.920 4.659 -4.981 600 HA ARG 75 HA ARG 75 -4.291 7.143 -4.774 601 1HB ARG 75 2HB ARG 75 -2.900 5.862 -7.150 602 2HB ARG 75 1HB ARG 75 -3.430 7.542 -7.094 603 1HG ARG 75 2HG ARG 75 -1.823 8.141 -5.526 604 2HG ARG 75 1HG ARG 75 -1.698 6.504 -4.880 605 1HD ARG 75 2HD ARG 75 0.237 6.476 -6.101 606 2HD ARG 75 1HD ARG 75 -0.863 6.058 -7.415 607 HE ARG 75 HE ARG 75 -0.486 8.941 -7.045 608 1HH1 ARG 75 2HH1 ARG 75 0.838 6.048 -8.364 609 2HH1 ARG 75 1HH1 ARG 75 1.494 6.827 -9.766 610 1HH2 ARG 75 1HH2 ARG 75 0.247 9.954 -8.939 611 2HH2 ARG 75 2HH2 ARG 75 1.160 9.037 -10.090 612 H GLU 76 H GLU 76 -4.867 4.269 -6.879 613 HA GLU 76 HA GLU 76 -7.066 5.378 -8.335 614 1HB GLU 76 2HB GLU 76 -6.175 2.618 -7.607 615 2HB GLU 76 1HB GLU 76 -7.811 2.821 -8.230 616 1HG GLU 76 2HG GLU 76 -5.376 3.956 -9.610 617 2HG GLU 76 1HG GLU 76 -6.040 2.365 -9.982 618 H ALA 77 H ALA 77 -6.774 4.344 -5.075 619 HA ALA 77 HA ALA 77 -9.638 3.959 -4.622 620 1HB ALA 77 2HB ALA 77 -7.293 4.188 -2.696 621 2HB ALA 77 1HB ALA 77 -8.928 3.717 -2.240 622 3HB ALA 77 3HB ALA 77 -7.977 2.685 -3.307 623 H LYS 78 H LYS 78 -7.264 6.311 -3.290 624 HA LYS 78 HA LYS 78 -9.301 8.085 -2.332 625 1HB LYS 78 2HB LYS 78 -7.384 8.718 -1.293 626 2HB LYS 78 1HB LYS 78 -6.371 8.095 -2.590 627 1HG LYS 78 2HG LYS 78 -7.936 10.662 -2.904 628 2HG LYS 78 1HG LYS 78 -6.329 10.643 -2.179 629 1HD LYS 78 2HD LYS 78 -6.520 9.118 -4.690 630 2HD LYS 78 1HD LYS 78 -6.820 10.846 -4.877 631 1HE LYS 78 2HE LYS 78 -4.707 11.398 -3.853 632 2HE LYS 78 1HE LYS 78 -4.433 9.717 -3.392 633 1HZ LYS 78 2HZ LYS 78 -4.710 9.344 -5.947 634 2HZ LYS 78 1HZ LYS 78 -4.248 10.976 -6.035 635 3HZ LYS 78 3HZ LYS 78 -3.218 9.845 -5.305 636 H ALA 79 H ALA 79 -8.272 7.368 -5.473 637 HA ALA 79 HA ALA 79 -8.970 10.011 -6.605 638 1HB ALA 79 2HB ALA 79 -7.116 8.344 -7.449 639 2HB ALA 79 1HB ALA 79 -8.476 7.524 -8.228 640 3HB ALA 79 3HB ALA 79 -8.105 9.204 -8.629 641 H GLU 80 H GLU 80 -9.878 6.694 -7.421 642 HA GLU 80 HA GLU 80 -12.227 7.240 -8.804 643 1HB GLU 80 2HB GLU 80 -11.732 4.858 -7.000 644 2HB GLU 80 1HB GLU 80 -12.828 4.938 -8.373 645 1HG GLU 80 2HG GLU 80 -10.063 5.730 -8.994 646 2HG GLU 80 1HG GLU 80 -10.256 4.038 -8.535 647 H GLY 81 H GLY 81 -12.079 6.275 -5.323 648 1HA GLY 81 2HA GLY 81 -14.234 8.204 -4.765 649 2HA GLY 81 1HA GLY 81 -14.719 6.512 -4.618 650 H ALA 82 H ALA 82 -12.222 5.536 -3.585 651 HA ALA 82 HA ALA 82 -12.554 5.620 -0.868 652 1HB ALA 82 1HB ALA 82 -10.581 4.658 -2.538 653 2HB ALA 82 3HB ALA 82 -9.707 5.835 -1.554 654 3HB ALA 82 2HB ALA 82 -10.584 4.514 -0.782 655 H ASP 83 H ASP 83 -11.409 6.761 0.848 656 HA ASP 83 HA ASP 83 -10.786 9.601 0.137 657 1HB ASP 83 2HB ASP 83 -12.743 8.615 1.907 658 2HB ASP 83 1HB ASP 83 -11.424 9.161 2.942 659 H ILE 84 H ILE 84 -8.733 8.040 -0.208 660 HA ILE 84 HA ILE 84 -7.266 7.657 2.336 661 HB ILE 84 HB ILE 84 -6.661 6.854 -0.521 662 1HG1 ILE 84 2HG1 ILE 84 -7.029 4.829 1.575 663 2HG1 ILE 84 1HG1 ILE 84 -8.475 5.786 1.234 664 1HG2 ILE 84 3HG2 ILE 84 -4.627 7.268 0.940 665 2HG2 ILE 84 2HG2 ILE 84 -5.234 6.009 2.016 666 3HG2 ILE 84 1HG2 ILE 84 -4.787 5.611 0.355 667 1HD1 ILE 84 3HD1 ILE 84 -7.559 5.322 -1.283 668 2HD1 ILE 84 2HD1 ILE 84 -7.047 3.844 -0.469 669 3HD1 ILE 84 1HD1 ILE 84 -8.749 4.308 -0.473 670 H THR 85 H THR 85 -5.101 8.471 2.570 671 HA THR 85 HA THR 85 -4.578 10.926 0.948 672 HB THR 85 HB THR 85 -3.384 10.407 3.669 673 HG1 THR 85 HG1 THR 85 -5.665 10.239 3.832 674 1HG2 THR 85 1HG2 THR 85 -3.356 12.509 1.707 675 2HG2 THR 85 3HG2 THR 85 -4.084 13.112 3.196 676 3HG2 THR 85 2HG2 THR 85 -2.467 12.409 3.227 677 H ILE 86 H ILE 86 -3.295 9.951 -0.649 678 HA ILE 86 HA ILE 86 -1.208 8.056 0.052 679 HB ILE 86 HB ILE 86 -2.343 9.195 -2.415 680 1HG1 ILE 86 2HG1 ILE 86 -2.214 6.930 -3.135 681 2HG1 ILE 86 1HG1 ILE 86 -0.946 6.551 -1.973 682 1HG2 ILE 86 3HG2 ILE 86 0.609 8.585 -2.184 683 2HG2 ILE 86 2HG2 ILE 86 -0.255 8.430 -3.714 684 3HG2 ILE 86 1HG2 ILE 86 -0.159 9.997 -2.911 685 1HD1 ILE 86 1HD1 ILE 86 -3.315 7.576 -0.634 686 2HD1 ILE 86 3HD1 ILE 86 -3.702 6.168 -1.624 687 3HD1 ILE 86 2HD1 ILE 86 -2.463 6.051 -0.369 688 H ILE 87 H ILE 87 0.361 8.872 1.328 689 HA ILE 87 HA ILE 87 1.495 11.544 0.698 690 HB ILE 87 HB ILE 87 2.304 9.732 2.975 691 1HG1 ILE 87 2HG1 ILE 87 0.023 11.734 2.887 692 2HG1 ILE 87 1HG1 ILE 87 -0.150 9.983 3.023 693 1HG2 ILE 87 3HG2 ILE 87 3.679 11.754 2.425 694 2HG2 ILE 87 2HG2 ILE 87 2.248 12.750 2.691 695 3HG2 ILE 87 1HG2 ILE 87 2.943 11.832 4.026 696 1HD1 ILE 87 1HD1 ILE 87 1.691 10.978 5.026 697 2HD1 ILE 87 3HD1 ILE 87 0.145 11.818 5.136 698 3HD1 ILE 87 2HD1 ILE 87 0.201 10.059 5.246 699 H LEU 88 H LEU 88 2.721 11.068 -1.184 700 HA LEU 88 HA LEU 88 4.833 8.987 -0.906 701 1HB LEU 88 2HB LEU 88 3.506 10.355 -3.214 702 2HB LEU 88 1HB LEU 88 5.165 9.789 -3.425 703 HG LEU 88 HG LEU 88 3.096 7.966 -2.225 704 1HD1 LEU 88 2HD1 LEU 88 2.950 9.092 -4.845 705 2HD1 LEU 88 1HD1 LEU 88 3.443 7.407 -5.010 706 3HD1 LEU 88 3HD1 LEU 88 1.954 7.811 -4.156 707 1HD2 LEU 88 3HD2 LEU 88 5.833 7.792 -2.803 708 2HD2 LEU 88 2HD2 LEU 88 4.762 6.450 -2.402 709 3HD2 LEU 88 1HD2 LEU 88 5.049 6.876 -4.089 710 H SER 89 HN SER 89 4.362 12.358 -0.678 711 HA SER 89 HA SER 89 5.867 14.153 -0.505 712 1HB SER 89 2HB SER 89 6.737 12.196 1.155 713 2HB SER 89 1HB SER 89 8.140 12.336 0.094 714 HG SER 89 HG SER 89 8.597 14.090 1.139 No H/Q in entry = 714 Start of MODEL 24 1 1H LYS 1 3H LYS 1 -8.400 5.108 8.302 2 2H LYS 1 2H LYS 1 -9.118 3.625 8.716 3 3H LYS 1 1H LYS 1 -9.137 4.919 9.817 4 HA LYS 1 HA LYS 1 -7.268 4.179 10.711 5 1HB LYS 1 2HB LYS 1 -7.842 2.152 8.658 6 2HB LYS 1 1HB LYS 1 -6.135 2.253 9.092 7 1HG LYS 1 2HG LYS 1 -6.491 1.491 11.215 8 2HG LYS 1 1HG LYS 1 -8.034 2.335 11.366 9 1HD LYS 1 2HD LYS 1 -9.003 0.631 9.756 10 2HD LYS 1 1HD LYS 1 -7.498 -0.273 9.926 11 1HE LYS 1 2HE LYS 1 -7.857 -0.621 12.261 12 2HE LYS 1 1HE LYS 1 -9.160 0.568 12.309 13 1HZ LYS 1 1HZ LYS 1 -9.507 -1.619 10.432 14 2HZ LYS 1 3HZ LYS 1 -9.565 -2.048 12.072 15 3HZ LYS 1 2HZ LYS 1 -10.636 -0.878 11.463 16 H LYS 2 H LYS 2 -4.891 4.363 10.475 17 HA LYS 2 HA LYS 2 -4.198 5.908 8.018 18 1HB LYS 2 2HB LYS 2 -2.923 7.399 9.265 19 2HB LYS 2 1HB LYS 2 -4.238 7.051 10.382 20 1HG LYS 2 2HG LYS 2 -2.426 6.751 11.784 21 2HG LYS 2 1HG LYS 2 -2.602 5.111 11.172 22 1HD LYS 2 2HD LYS 2 -0.309 5.535 10.867 23 2HD LYS 2 1HD LYS 2 -0.981 5.909 9.280 24 1HE LYS 2 2HE LYS 2 -0.345 8.062 9.441 25 2HE LYS 2 1HE LYS 2 -1.124 8.225 11.015 26 1HZ LYS 2 3HZ LYS 2 1.126 6.662 11.406 27 2HZ LYS 2 2HZ LYS 2 1.622 7.952 10.417 28 3HZ LYS 2 1HZ LYS 2 0.882 8.262 11.915 29 H ALA 3 H ALA 3 -3.034 4.634 6.704 30 HA ALA 3 HA ALA 3 -1.352 2.482 7.769 31 1HB ALA 3 2HB ALA 3 -2.361 3.333 5.117 32 2HB ALA 3 1HB ALA 3 -0.765 2.582 5.110 33 3HB ALA 3 3HB ALA 3 -2.148 1.709 5.770 34 H VAL 4 H VAL 4 0.954 2.364 7.293 35 HA VAL 4 HA VAL 4 2.276 4.906 6.546 36 HB VAL 4 HB VAL 4 2.671 3.487 9.197 37 1HG1 VAL 4 2HG1 VAL 4 4.609 4.788 7.566 38 2HG1 VAL 4 1HG1 VAL 4 4.247 5.868 8.913 39 3HG1 VAL 4 3HG1 VAL 4 4.796 4.222 9.226 40 1HG2 VAL 4 3HG2 VAL 4 0.846 5.322 8.739 41 2HG2 VAL 4 2HG2 VAL 4 1.849 5.443 10.184 42 3HG2 VAL 4 1HG2 VAL 4 2.219 6.429 8.769 43 H ILE 5 H ILE 5 4.012 4.449 5.269 44 HA ILE 5 HA ILE 5 4.980 1.622 5.303 45 HB ILE 5 HB ILE 5 4.904 3.621 3.024 46 1HG1 ILE 5 2HG1 ILE 5 3.386 1.048 3.263 47 2HG1 ILE 5 1HG1 ILE 5 2.797 2.495 4.069 48 1HG2 ILE 5 2HG2 ILE 5 5.907 0.780 3.268 49 2HG2 ILE 5 1HG2 ILE 5 5.366 1.438 1.721 50 3HG2 ILE 5 3HG2 ILE 5 6.730 2.174 2.564 51 1HD1 ILE 5 1HD1 ILE 5 2.896 3.679 1.869 52 2HD1 ILE 5 3HD1 ILE 5 3.287 2.132 1.115 53 3HD1 ILE 5 2HD1 ILE 5 1.733 2.356 1.914 54 H ASN 6 H ASN 6 7.027 1.300 5.901 55 HA ASN 6 HA ASN 6 8.923 3.605 5.751 56 1HB ASN 6 2HB ASN 6 9.376 1.423 7.741 57 2HB ASN 6 1HB ASN 6 9.739 3.144 7.862 58 1HD2 ASN 6 2HD2 ASN 6 6.932 3.532 9.922 59 2HD2 ASN 6 1HD2 ASN 6 8.590 3.797 9.674 60 H GLY 7 H GLY 7 10.337 3.136 4.126 61 1HA GLY 7 2HA GLY 7 10.754 0.471 3.143 62 2HA GLY 7 1HA GLY 7 11.725 1.883 2.715 63 H GLU 8 H GLU 8 11.972 2.157 5.835 64 HA GLU 8 HA GLU 8 14.589 1.017 5.997 65 1HB GLU 8 2HB GLU 8 14.018 2.933 7.379 66 2HB GLU 8 1HB GLU 8 12.728 2.022 8.165 67 1HG GLU 8 2HG GLU 8 14.170 1.082 9.619 68 2HG GLU 8 1HG GLU 8 15.260 0.601 8.318 69 H GLN 9 H GLN 9 11.469 -0.254 6.452 70 HA GLN 9 HA GLN 9 12.578 -2.676 7.803 71 1HB GLN 9 2HB GLN 9 10.691 -1.382 8.947 72 2HB GLN 9 1HB GLN 9 9.663 -1.894 7.608 73 1HG GLN 9 2HG GLN 9 9.383 -3.483 9.416 74 2HG GLN 9 1HG GLN 9 10.293 -4.275 8.128 75 1HE2 GLN 9 2HE2 GLN 9 13.030 -4.932 10.227 76 2HE2 GLN 9 1HE2 GLN 9 12.171 -5.307 8.812 77 H ILE 10 H ILE 10 11.150 -1.397 4.981 78 HA ILE 10 HA ILE 10 10.110 -3.884 3.920 79 HB ILE 10 HB ILE 10 10.969 -1.407 2.406 80 1HG1 ILE 10 2HG1 ILE 10 9.250 -1.175 4.354 81 2HG1 ILE 10 1HG1 ILE 10 8.829 -0.494 2.784 82 1HG2 ILE 10 1HG2 ILE 10 9.386 -3.881 1.770 83 2HG2 ILE 10 3HG2 ILE 10 8.989 -2.369 0.949 84 3HG2 ILE 10 2HG2 ILE 10 10.606 -3.056 0.794 85 1HD1 ILE 10 1HD1 ILE 10 8.073 -3.312 3.036 86 2HD1 ILE 10 3HD1 ILE 10 7.284 -2.283 4.233 87 3HD1 ILE 10 2HD1 ILE 10 7.108 -1.931 2.514 88 H ARG 11 H ARG 11 11.473 -5.535 3.533 89 HA ARG 11 HA ARG 11 14.302 -5.136 2.946 90 1HB ARG 11 2HB ARG 11 13.074 -7.770 2.338 91 2HB ARG 11 1HB ARG 11 14.511 -7.392 3.292 92 1HG ARG 11 2HG ARG 11 12.897 -6.459 5.056 93 2HG ARG 11 1HG ARG 11 11.622 -7.272 4.142 94 1HD ARG 11 2HD ARG 11 12.358 -8.784 5.886 95 2HD ARG 11 1HD ARG 11 12.944 -9.409 4.345 96 HE ARG 11 HE ARG 11 15.182 -8.705 4.959 97 1HH1 ARG 11 1HH2 ARG 11 12.882 -7.396 7.113 98 2HH1 ARG 11 2HH2 ARG 11 13.924 -7.451 8.495 99 1HH2 ARG 11 2HH1 ARG 11 16.488 -9.087 6.830 100 2HH2 ARG 11 1HH1 ARG 11 15.965 -8.408 8.335 101 H SER 12 H SER 12 11.441 -6.240 1.144 102 HA SER 12 HA SER 12 12.274 -5.008 -1.304 103 1HB SER 12 2HB SER 12 14.014 -6.866 -1.062 104 2HB SER 12 1HB SER 12 12.696 -8.001 -1.338 105 HG SER 12 HG SER 12 13.386 -7.596 -3.339 106 H ILE 13 H ILE 13 9.879 -4.741 -0.524 107 HA ILE 13 HA ILE 13 7.685 -4.944 -1.294 108 HB ILE 13 HB ILE 13 9.003 -6.041 -3.375 109 1HG1 ILE 13 2HG1 ILE 13 6.873 -6.116 -4.521 110 2HG1 ILE 13 1HG1 ILE 13 6.010 -6.329 -2.998 111 1HG2 ILE 13 1HG2 ILE 13 8.554 -8.325 -1.952 112 2HG2 ILE 13 3HG2 ILE 13 7.096 -8.264 -2.938 113 3HG2 ILE 13 2HG2 ILE 13 8.682 -8.277 -3.706 114 1HD1 ILE 13 1HD1 ILE 13 7.757 -3.915 -3.417 115 2HD1 ILE 13 3HD1 ILE 13 6.116 -3.946 -4.061 116 3HD1 ILE 13 2HD1 ILE 13 6.383 -4.116 -2.328 117 H SER 14 H SER 14 9.331 -7.854 -0.123 118 HA SER 14 HA SER 14 7.002 -9.307 0.618 119 1HB SER 14 2HB SER 14 9.799 -9.570 0.983 120 2HB SER 14 1HB SER 14 9.082 -9.627 2.591 121 HG SER 14 HG SER 14 8.130 -11.118 0.371 122 H ASP 15 H ASP 15 8.998 -7.058 2.540 123 HA ASP 15 HA ASP 15 7.227 -7.062 4.801 124 1HB ASP 15 2HB ASP 15 9.696 -5.750 3.963 125 2HB ASP 15 1HB ASP 15 8.652 -4.689 4.903 126 H LEU 16 H LEU 16 7.217 -5.407 1.792 127 HA LEU 16 HA LEU 16 5.685 -3.098 2.606 128 1HB LEU 16 2HB LEU 16 6.988 -3.311 0.452 129 2HB LEU 16 1HB LEU 16 5.734 -4.402 -0.125 130 HG LEU 16 HG LEU 16 4.329 -2.690 -0.605 131 1HD1 LEU 16 1HD1 LEU 16 5.172 -1.422 2.022 132 2HD1 LEU 16 3HD1 LEU 16 3.968 -0.731 0.936 133 3HD1 LEU 16 2HD1 LEU 16 3.672 -2.291 1.701 134 1HD2 LEU 16 2HD2 LEU 16 6.807 -1.892 -1.110 135 2HD2 LEU 16 1HD2 LEU 16 5.434 -0.813 -1.363 136 3HD2 LEU 16 3HD2 LEU 16 6.408 -0.674 0.102 137 H HIS 17 H HIS 17 4.717 -6.009 0.786 138 HA HIS 17 HA HIS 17 1.937 -5.569 0.935 139 1HB HIS 17 2HB HIS 17 3.550 -8.119 0.771 140 2HB HIS 17 1HB HIS 17 1.787 -8.089 0.641 141 HD1 HIS 17 HD1 HIS 17 0.760 -6.891 -1.447 142 HD2 HIS 17 HD2 HIS 17 4.926 -7.041 -1.471 143 HE1 HIS 17 HE1 HIS 17 1.489 -6.209 -3.773 144 H GLN 18 H GLN 18 4.144 -6.707 3.334 145 HA GLN 18 HA GLN 18 2.050 -7.749 5.091 146 1HB GLN 18 2HB GLN 18 4.969 -7.123 5.621 147 2HB GLN 18 1HB GLN 18 3.891 -7.931 6.760 148 1HG GLN 18 2HG GLN 18 3.483 -9.455 4.551 149 2HG GLN 18 1HG GLN 18 5.161 -8.978 4.298 150 1HE2 GLN 18 2HE2 GLN 18 4.499 -11.933 6.829 151 2HE2 GLN 18 1HE2 GLN 18 3.474 -11.473 5.556 152 H THR 19 H THR 19 3.808 -4.808 4.608 153 HA THR 19 HA THR 19 2.987 -3.511 7.049 154 HB THR 19 HB THR 19 4.111 -2.513 4.434 155 HG1 THR 19 HG1 THR 19 5.091 -2.482 7.092 156 1HG2 THR 19 1HG2 THR 19 2.938 -0.982 6.717 157 2HG2 THR 19 3HG2 THR 19 4.385 -0.346 5.932 158 3HG2 THR 19 2HG2 THR 19 2.917 -0.613 4.991 159 H LEU 20 H LEU 20 1.676 -3.725 3.827 160 HA LEU 20 HA LEU 20 -0.503 -1.833 4.402 161 1HB LEU 20 2HB LEU 20 -0.602 -3.779 2.117 162 2HB LEU 20 1HB LEU 20 -1.171 -2.108 2.180 163 HG LEU 20 HG LEU 20 1.737 -2.915 2.263 164 1HD1 LEU 20 2HD1 LEU 20 -0.066 -2.109 -0.012 165 2HD1 LEU 20 1HD1 LEU 20 1.677 -1.848 -0.090 166 3HD1 LEU 20 3HD1 LEU 20 1.035 -3.482 0.079 167 1HD2 LEU 20 1HD2 LEU 20 0.989 -0.712 3.316 168 2HD2 LEU 20 3HD2 LEU 20 2.182 -0.564 2.024 169 3HD2 LEU 20 2HD2 LEU 20 0.483 -0.218 1.699 170 H LYS 21 H LYS 21 0.125 -5.261 4.295 171 HA LYS 21 HA LYS 21 -2.628 -6.083 4.730 172 1HB LYS 21 2HB LYS 21 -1.103 -7.723 3.843 173 2HB LYS 21 1HB LYS 21 0.022 -7.477 5.183 174 1HG LYS 21 2HG LYS 21 -1.124 -8.889 6.525 175 2HG LYS 21 1HG LYS 21 -2.667 -8.142 6.103 176 1HD LYS 21 2HD LYS 21 -3.159 -9.814 4.679 177 2HD LYS 21 1HD LYS 21 -1.616 -9.622 3.848 178 1HE LYS 21 2HE LYS 21 -1.245 -10.832 6.462 179 2HE LYS 21 1HE LYS 21 -2.374 -11.771 5.485 180 1HZ LYS 21 3HZ LYS 21 -0.686 -11.561 3.647 181 2HZ LYS 21 2HZ LYS 21 0.405 -10.996 4.822 182 3HZ LYS 21 1HZ LYS 21 -0.247 -12.560 4.946 183 H LYS 22 H LYS 22 -0.076 -4.840 6.690 184 HA LYS 22 HA LYS 22 -1.250 -5.784 9.219 185 1HB LYS 22 2HB LYS 22 1.088 -5.661 9.353 186 2HB LYS 22 1HB LYS 22 1.158 -4.154 8.442 187 1HG LYS 22 2HG LYS 22 0.257 -2.908 10.310 188 2HG LYS 22 1HG LYS 22 -0.047 -4.393 11.213 189 1HD LYS 22 2HD LYS 22 2.493 -4.829 10.963 190 2HD LYS 22 1HD LYS 22 2.604 -3.122 10.535 191 1HE LYS 22 2HE LYS 22 2.974 -3.339 12.926 192 2HE LYS 22 1HE LYS 22 1.410 -2.568 12.669 193 1HZ LYS 22 3HZ LYS 22 1.254 -5.429 12.728 194 2HZ LYS 22 2HZ LYS 22 1.856 -4.778 14.178 195 3HZ LYS 22 1HZ LYS 22 0.345 -4.278 13.581 196 H GLU 23 H GLU 23 -0.869 -2.674 7.490 197 HA GLU 23 HA GLU 23 -2.324 -1.180 9.506 198 1HB GLU 23 2HB GLU 23 -2.003 -0.332 6.632 199 2HB GLU 23 1HB GLU 23 -2.126 0.691 8.062 200 1HG GLU 23 2HG GLU 23 0.088 0.464 8.574 201 2HG GLU 23 1HG GLU 23 0.144 -1.219 8.050 202 H LEU 24 H LEU 24 -3.103 -2.211 6.241 203 HA LEU 24 HA LEU 24 -5.888 -1.486 6.401 204 1HB LEU 24 2HB LEU 24 -4.748 -3.589 4.553 205 2HB LEU 24 1HB LEU 24 -6.104 -2.502 4.264 206 HG LEU 24 HG LEU 24 -3.338 -1.403 4.740 207 1HD1 LEU 24 2HD1 LEU 24 -4.435 -2.716 2.293 208 2HD1 LEU 24 1HD1 LEU 24 -3.437 -1.275 2.097 209 3HD1 LEU 24 3HD1 LEU 24 -2.784 -2.696 2.915 210 1HD2 LEU 24 1HD2 LEU 24 -5.853 -0.272 4.413 211 2HD2 LEU 24 3HD2 LEU 24 -4.311 0.563 4.233 212 3HD2 LEU 24 2HD2 LEU 24 -5.116 -0.116 2.818 213 H ALA 25 H ALA 25 -4.012 -4.245 7.365 214 HA ALA 25 HA ALA 25 -4.644 -6.129 8.614 215 1HB ALA 25 1HB ALA 25 -6.582 -4.175 9.211 216 2HB ALA 25 3HB ALA 25 -7.489 -5.639 8.831 217 3HB ALA 25 2HB ALA 25 -6.268 -5.664 10.104 218 H LEU 26 H LEU 26 -4.458 -6.497 5.934 219 HA LEU 26 HA LEU 26 -6.896 -7.522 4.743 220 1HB LEU 26 2HB LEU 26 -4.074 -8.281 3.933 221 2HB LEU 26 1HB LEU 26 -5.515 -8.222 2.921 222 HG LEU 26 HG LEU 26 -4.399 -5.762 4.274 223 1HD1 LEU 26 3HD1 LEU 26 -3.124 -7.193 2.265 224 2HD1 LEU 26 2HD1 LEU 26 -4.037 -5.968 1.382 225 3HD1 LEU 26 1HD1 LEU 26 -2.882 -5.483 2.625 226 1HD2 LEU 26 1HD2 LEU 26 -6.851 -6.184 3.191 227 2HD2 LEU 26 3HD2 LEU 26 -6.035 -4.619 3.153 228 3HD2 LEU 26 2HD2 LEU 26 -5.960 -5.689 1.750 229 HA PRO 27 HA PRO 27 -6.925 -11.560 6.418 230 1HB PRO 27 2HB PRO 27 -7.759 -13.055 4.268 231 2HB PRO 27 1HB PRO 27 -8.824 -11.972 5.186 232 1HG PRO 27 2HG PRO 27 -7.627 -11.584 2.483 233 2HG PRO 27 1HG PRO 27 -9.119 -10.909 3.155 234 1HD PRO 27 2HD PRO 27 -6.657 -9.554 2.881 235 2HD PRO 27 1HD PRO 27 -8.044 -9.004 3.847 236 H GLU 28 H GLU 28 -6.345 -14.018 5.452 237 HA GLU 28 HA GLU 28 -3.435 -13.945 5.197 238 1HB GLU 28 2HB GLU 28 -4.528 -15.654 6.583 239 2HB GLU 28 1HB GLU 28 -5.393 -16.261 5.167 240 1HG GLU 28 2HG GLU 28 -3.596 -17.711 5.150 241 2HG GLU 28 1HG GLU 28 -2.918 -16.402 4.179 242 H TYR 29 H TYR 29 -6.116 -15.187 3.189 243 HA TYR 29 HA TYR 29 -4.523 -16.081 1.030 244 1HB TYR 29 2HB TYR 29 -6.581 -15.946 -0.315 245 2HB TYR 29 1HB TYR 29 -6.899 -16.657 1.271 246 HD1 TYR 29 HD2 TYR 29 -6.839 -13.306 -0.443 247 HD2 TYR 29 HD1 TYR 29 -8.623 -15.801 2.572 248 HE1 TYR 29 HE2 TYR 29 -8.537 -11.557 0.002 249 HE2 TYR 29 HE1 TYR 29 -10.320 -14.046 3.016 250 HH TYR 29 HH TYR 29 -11.331 -12.146 1.906 251 H TYR 30 H TYR 30 -5.079 -12.893 2.056 252 HA TYR 30 HA TYR 30 -5.280 -11.278 -0.142 253 1HB TYR 30 2HB TYR 30 -4.853 -10.250 1.987 254 2HB TYR 30 1HB TYR 30 -3.284 -11.046 2.125 255 HD1 TYR 30 HD1 TYR 30 -4.968 -9.208 -0.676 256 HD2 TYR 30 HD2 TYR 30 -1.575 -9.458 1.947 257 HE1 TYR 30 HE1 TYR 30 -3.904 -7.315 -1.871 258 HE2 TYR 30 HE2 TYR 30 -0.506 -7.569 0.743 259 HH TYR 30 HH TYR 30 -1.558 -6.467 -2.248 260 H GLY 31 H GLY 31 -4.235 -11.097 -2.061 261 1HA GLY 31 2HA GLY 31 -2.005 -12.842 -2.677 262 2HA GLY 31 1HA GLY 31 -2.678 -11.612 -3.753 263 H GLU 32 H GLU 32 -1.279 -10.022 -4.218 264 HA GLU 32 HA GLU 32 0.104 -8.458 -2.309 265 1HB GLU 32 2HB GLU 32 2.395 -9.222 -2.528 266 2HB GLU 32 1HB GLU 32 1.409 -10.587 -2.004 267 1HG GLU 32 2HG GLU 32 2.092 -11.746 -3.806 268 2HG GLU 32 1HG GLU 32 1.327 -10.544 -4.846 269 H ASN 33 H ASN 33 -1.385 -7.887 -4.522 270 HA ASN 33 HA ASN 33 0.569 -6.416 -6.170 271 1HB ASN 33 2HB ASN 33 -0.945 -7.233 -8.213 272 2HB ASN 33 1HB ASN 33 0.460 -8.160 -7.690 273 1HD2 ASN 33 1HD2 ASN 33 -2.626 -7.958 -5.903 274 2HD2 ASN 33 2HD2 ASN 33 -3.025 -9.598 -6.086 275 H LEU 34 H LEU 34 -1.188 -5.400 -8.058 276 HA LEU 34 HA LEU 34 -2.788 -3.628 -6.374 277 1HB LEU 34 2HB LEU 34 -3.522 -2.787 -8.770 278 2HB LEU 34 1HB LEU 34 -1.917 -2.415 -8.146 279 HG LEU 34 HG LEU 34 -2.147 -4.994 -9.582 280 1HD1 LEU 34 2HD1 LEU 34 -2.975 -2.425 -10.776 281 2HD1 LEU 34 1HD1 LEU 34 -1.738 -3.288 -11.689 282 3HD1 LEU 34 3HD1 LEU 34 -3.276 -4.072 -11.331 283 1HD2 LEU 34 2HD2 LEU 34 -0.222 -2.792 -9.081 284 2HD2 LEU 34 1HD2 LEU 34 0.057 -4.532 -9.151 285 3HD2 LEU 34 3HD2 LEU 34 -0.068 -3.599 -10.644 286 H ASP 35 H ASP 35 -3.392 -6.648 -7.774 287 HA ASP 35 HA ASP 35 -6.210 -6.127 -8.374 288 1HB ASP 35 2HB ASP 35 -5.972 -8.862 -8.129 289 2HB ASP 35 1HB ASP 35 -5.864 -7.954 -9.630 290 H ALA 36 H ALA 36 -4.532 -8.173 -5.939 291 HA ALA 36 HA ALA 36 -6.975 -8.529 -4.425 292 1HB ALA 36 3HB ALA 36 -4.704 -9.942 -4.482 293 2HB ALA 36 2HB ALA 36 -4.322 -8.898 -3.113 294 3HB ALA 36 1HB ALA 36 -5.750 -9.937 -3.059 295 H LEU 37 H LEU 37 -4.178 -6.440 -4.170 296 HA LEU 37 HA LEU 37 -4.846 -5.243 -1.655 297 1HB LEU 37 2HB LEU 37 -2.639 -4.936 -2.626 298 2HB LEU 37 1HB LEU 37 -3.343 -4.111 -4.017 299 HG LEU 37 HG LEU 37 -4.358 -2.804 -1.721 300 1HD1 LEU 37 1HD1 LEU 37 -2.031 -4.045 -0.948 301 2HD1 LEU 37 3HD1 LEU 37 -1.429 -2.487 -1.511 302 3HD1 LEU 37 2HD1 LEU 37 -2.648 -2.554 -0.238 303 1HD2 LEU 37 1HD2 LEU 37 -3.426 -2.140 -4.181 304 2HD2 LEU 37 3HD2 LEU 37 -3.673 -0.959 -2.896 305 3HD2 LEU 37 2HD2 LEU 37 -2.062 -1.614 -3.191 306 H TRP 38 H TRP 38 -5.436 -4.092 -5.003 307 HA TRP 38 HA TRP 38 -7.050 -1.870 -4.239 308 1HB TRP 38 2HB TRP 38 -6.314 -2.010 -6.536 309 2HB TRP 38 1HB TRP 38 -7.010 -3.616 -6.695 310 HD1 TRP 38 HD1 TRP 38 -9.294 -3.797 -7.623 311 HE1 TRP 38 HE1 TRP 38 -11.216 -2.173 -8.194 312 HE3 TRP 38 HE3 TRP 38 -7.436 0.513 -5.611 313 HZ2 TRP 38 HZ2 TRP 38 -11.861 0.590 -7.850 314 HZ3 TRP 38 HZ3 TRP 38 -8.716 2.616 -5.757 315 HH2 TRP 38 HH2 TRP 38 -10.927 2.664 -6.868 316 H ASP 39 H ASP 39 -7.779 -5.213 -4.953 317 HA ASP 39 HA ASP 39 -10.580 -5.146 -4.657 318 1HB ASP 39 2HB ASP 39 -8.481 -7.188 -4.489 319 2HB ASP 39 1HB ASP 39 -9.873 -7.536 -3.458 320 H ALA 40 H ALA 40 -8.021 -5.057 -2.282 321 HA ALA 40 HA ALA 40 -9.882 -5.352 -0.025 322 1HB ALA 40 1HB ALA 40 -7.295 -5.917 -0.152 323 2HB ALA 40 3HB ALA 40 -7.130 -4.226 0.324 324 3HB ALA 40 2HB ALA 40 -8.024 -5.349 1.352 325 H LEU 41 H LEU 41 -7.603 -2.705 -0.802 326 HA LEU 41 HA LEU 41 -8.562 -0.671 0.715 327 1HB LEU 41 2HB LEU 41 -7.572 -0.667 -2.103 328 2HB LEU 41 1HB LEU 41 -8.207 0.830 -1.424 329 HG LEU 41 HG LEU 41 -6.295 -0.680 0.278 330 1HD1 LEU 41 3HD1 LEU 41 -5.281 -0.852 -1.983 331 2HD1 LEU 41 2HD1 LEU 41 -5.422 0.898 -2.165 332 3HD1 LEU 41 1HD1 LEU 41 -4.350 0.221 -0.932 333 1HD2 LEU 41 2HD2 LEU 41 -7.465 1.695 0.564 334 2HD2 LEU 41 1HD2 LEU 41 -5.816 1.415 1.133 335 3HD2 LEU 41 3HD2 LEU 41 -6.093 2.222 -0.412 336 H THR 42 H THR 42 -9.837 -1.169 -2.547 337 HA THR 42 HA THR 42 -12.243 0.369 -1.844 338 HB THR 42 HB THR 42 -11.363 0.715 -4.068 339 HG1 THR 42 HG1 THR 42 -13.223 0.424 -5.138 340 1HG2 THR 42 2HG2 THR 42 -11.315 -2.268 -4.072 341 2HG2 THR 42 1HG2 THR 42 -11.608 -1.449 -5.607 342 3HG2 THR 42 3HG2 THR 42 -10.128 -1.124 -4.703 343 H GLY 43 H GLY 43 -12.209 -1.763 -0.181 344 1HA GLY 43 2HA GLY 43 -14.641 -2.952 -0.226 345 2HA GLY 43 1HA GLY 43 -13.752 -3.975 -1.357 346 H TRP 44 H TRP 44 -12.327 -2.446 1.526 347 HA TRP 44 HA TRP 44 -12.573 -4.739 3.241 348 1HB TRP 44 2HB TRP 44 -11.082 -5.824 1.635 349 2HB TRP 44 1HB TRP 44 -9.958 -4.466 1.731 350 HD1 TRP 44 HD1 TRP 44 -8.982 -3.970 4.305 351 HE1 TRP 44 HE1 TRP 44 -8.248 -5.691 6.081 352 HE3 TRP 44 HE3 TRP 44 -11.353 -8.128 2.536 353 HZ2 TRP 44 HZ2 TRP 44 -8.623 -8.471 6.672 354 HZ3 TRP 44 HZ3 TRP 44 -11.152 -10.296 3.720 355 HH2 TRP 44 HH2 TRP 44 -9.789 -10.472 5.783 356 H VAL 45 H VAL 45 -10.514 -2.073 2.222 357 HA VAL 45 HA VAL 45 -9.469 -1.508 4.854 358 HB VAL 45 HB VAL 45 -9.499 -0.170 2.174 359 1HG1 VAL 45 3HG1 VAL 45 -8.597 1.148 4.741 360 2HG1 VAL 45 2HG1 VAL 45 -8.289 1.760 3.117 361 3HG1 VAL 45 1HG1 VAL 45 -9.944 1.659 3.723 362 1HG2 VAL 45 3HG2 VAL 45 -7.443 -1.211 4.119 363 2HG2 VAL 45 2HG2 VAL 45 -7.738 -1.724 2.458 364 3HG2 VAL 45 1HG2 VAL 45 -6.986 -0.161 2.779 365 H GLU 46 H GLU 46 -9.927 0.653 5.935 366 HA GLU 46 HA GLU 46 -12.824 1.354 5.678 367 1HB GLU 46 2HB GLU 46 -12.395 0.167 7.787 368 2HB GLU 46 1HB GLU 46 -11.101 1.301 8.178 369 1HG GLU 46 2HG GLU 46 -13.433 2.821 7.539 370 2HG GLU 46 1HG GLU 46 -13.898 1.575 8.697 371 H TYR 47 H TYR 47 -12.802 3.268 4.604 372 HA TYR 47 HA TYR 47 -10.670 5.235 5.081 373 1HB TYR 47 2HB TYR 47 -13.135 5.414 3.322 374 2HB TYR 47 1HB TYR 47 -11.710 6.452 3.236 375 HD1 TYR 47 HD2 TYR 47 -9.404 4.853 3.329 376 HD2 TYR 47 HD1 TYR 47 -13.212 3.854 1.599 377 HE1 TYR 47 HE2 TYR 47 -8.298 3.198 1.846 378 HE2 TYR 47 HE1 TYR 47 -12.098 2.210 0.112 379 HH TYR 47 HH TYR 47 -9.556 2.039 -0.839 380 HA PRO 48 HA PRO 48 -11.011 7.669 4.330 381 1HB PRO 48 2HB PRO 48 -9.942 9.627 5.938 382 2HB PRO 48 1HB PRO 48 -11.419 9.825 4.976 383 1HG PRO 48 2HG PRO 48 -11.135 9.366 7.919 384 2HG PRO 48 1HG PRO 48 -12.391 10.251 7.036 385 1HD PRO 48 2HD PRO 48 -12.694 7.668 8.062 386 2HD PRO 48 1HD PRO 48 -13.692 8.370 6.766 387 H LEU 49 H LEU 49 -8.957 6.998 3.982 388 HA LEU 49 HA LEU 49 -7.488 5.799 6.284 389 1HB LEU 49 2HB LEU 49 -7.885 4.118 4.669 390 2HB LEU 49 1HB LEU 49 -7.571 5.216 3.326 391 HG LEU 49 HG LEU 49 -5.156 5.350 4.208 392 1HD1 LEU 49 3HD1 LEU 49 -6.385 3.573 6.152 393 2HD1 LEU 49 2HD1 LEU 49 -5.023 2.788 5.352 394 3HD1 LEU 49 1HD1 LEU 49 -4.790 4.323 6.186 395 1HD2 LEU 49 2HD2 LEU 49 -6.528 3.288 2.677 396 2HD2 LEU 49 1HD2 LEU 49 -4.974 4.066 2.363 397 3HD2 LEU 49 3HD2 LEU 49 -5.063 2.669 3.437 398 H VAL 50 H VAL 50 -5.169 6.130 6.363 399 HA VAL 50 HA VAL 50 -4.258 8.571 4.890 400 HB VAL 50 HB VAL 50 -4.219 7.906 7.775 401 1HG1 VAL 50 1HG1 VAL 50 -1.734 8.816 6.332 402 2HG1 VAL 50 3HG1 VAL 50 -2.055 9.348 7.983 403 3HG1 VAL 50 2HG1 VAL 50 -1.885 7.629 7.626 404 1HG2 VAL 50 3HG2 VAL 50 -5.295 9.883 6.480 405 2HG2 VAL 50 2HG2 VAL 50 -4.467 10.234 7.996 406 3HG2 VAL 50 1HG2 VAL 50 -3.664 10.555 6.459 407 H LEU 51 H LEU 51 -3.115 7.472 3.259 408 HA LEU 51 HA LEU 51 -1.349 5.233 3.956 409 1HB LEU 51 2HB LEU 51 -2.515 5.232 1.798 410 2HB LEU 51 1HB LEU 51 -1.744 6.764 1.370 411 HG LEU 51 HG LEU 51 0.483 5.464 1.785 412 1HD1 LEU 51 3HD1 LEU 51 -1.505 3.384 2.044 413 2HD1 LEU 51 2HD1 LEU 51 -0.356 3.026 0.742 414 3HD1 LEU 51 1HD1 LEU 51 0.222 3.323 2.396 415 1HD2 LEU 51 1HD2 LEU 51 -0.867 6.168 -0.413 416 2HD2 LEU 51 3HD2 LEU 51 0.652 5.280 -0.469 417 3HD2 LEU 51 2HD2 LEU 51 -0.883 4.411 -0.609 418 H GLU 52 H GLU 52 -0.229 6.874 5.552 419 HA GLU 52 HA GLU 52 1.474 8.908 4.462 420 1HB GLU 52 2HB GLU 52 1.022 8.970 6.815 421 2HB GLU 52 1HB GLU 52 1.586 7.313 7.032 422 1HG GLU 52 2HG GLU 52 3.743 7.969 7.201 423 2HG GLU 52 1HG GLU 52 3.610 9.013 5.785 424 H TRP 53 H TRP 53 2.513 7.897 2.609 425 HA TRP 53 HA TRP 53 4.222 5.569 3.126 426 1HB TRP 53 2HB TRP 53 2.975 6.267 0.874 427 2HB TRP 53 1HB TRP 53 4.498 7.117 0.595 428 HD1 TRP 53 HD1 TRP 53 6.560 5.191 1.831 429 HE1 TRP 53 HE1 TRP 53 7.016 2.864 0.827 430 HE3 TRP 53 HE3 TRP 53 2.221 4.500 -0.693 431 HZ2 TRP 53 HZ2 TRP 53 5.662 0.944 -0.815 432 HZ3 TRP 53 HZ3 TRP 53 1.778 2.421 -1.932 433 HH2 TRP 53 HH2 TRP 53 3.507 0.630 -2.015 434 H ARG 54 H ARG 54 6.230 5.818 3.946 435 HA ARG 54 HA ARG 54 7.447 8.359 4.415 436 1HB ARG 54 2HB ARG 54 8.698 5.594 4.294 437 2HB ARG 54 1HB ARG 54 9.490 7.029 4.947 438 1HG ARG 54 2HG ARG 54 6.779 6.423 6.007 439 2HG ARG 54 1HG ARG 54 8.074 5.325 6.488 440 1HD ARG 54 2HD ARG 54 8.393 8.321 6.674 441 2HD ARG 54 1HD ARG 54 7.673 7.385 7.984 442 HE ARG 54 HE ARG 54 9.825 6.179 8.189 443 1HH1 ARG 54 1HH2 ARG 54 11.670 6.139 6.353 444 2HH1 ARG 54 2HH2 ARG 54 12.516 7.650 6.318 445 1HH2 ARG 54 2HH1 ARG 54 10.068 9.364 8.077 446 2HH2 ARG 54 1HH1 ARG 54 11.609 9.476 7.294 447 H GLN 55 H GLN 55 10.102 6.962 3.182 448 HA GLN 55 HA GLN 55 10.055 8.647 0.796 449 1HB GLN 55 2HB GLN 55 12.081 6.823 2.080 450 2HB GLN 55 1HB GLN 55 12.346 7.443 0.450 451 1HG GLN 55 2HG GLN 55 12.586 9.625 1.164 452 2HG GLN 55 1HG GLN 55 11.529 9.394 2.558 453 1HE2 GLN 55 2HE2 GLN 55 14.376 9.150 4.612 454 2HE2 GLN 55 1HE2 GLN 55 12.863 9.867 4.335 455 H PHE 56 H PHE 56 8.203 7.511 -0.221 456 HA PHE 56 HA PHE 56 7.815 4.918 -0.912 457 1HB PHE 56 2HB PHE 56 6.399 6.678 -1.812 458 2HB PHE 56 1HB PHE 56 7.717 7.266 -2.827 459 HD1 PHE 56 HD2 PHE 56 5.400 4.430 -2.242 460 HD2 PHE 56 HD1 PHE 56 8.300 6.173 -4.886 461 HE1 PHE 56 HE2 PHE 56 4.764 2.814 -3.999 462 HE2 PHE 56 HE1 PHE 56 7.670 4.551 -6.646 463 HZ PHE 56 HZ PHE 56 5.901 2.868 -6.206 464 H GLU 57 H GLU 57 10.450 6.917 -2.122 465 HA GLU 57 HA GLU 57 11.376 5.547 -4.332 466 1HB GLU 57 2HB GLU 57 12.467 7.400 -2.608 467 2HB GLU 57 1HB GLU 57 13.521 6.006 -2.372 468 1HG GLU 57 2HG GLU 57 12.782 6.770 -5.171 469 2HG GLU 57 1HG GLU 57 13.990 7.740 -4.327 470 H GLN 58 H GLN 58 12.544 4.723 -1.047 471 HA GLN 58 HA GLN 58 13.745 2.281 -1.704 472 1HB GLN 58 2HB GLN 58 13.095 1.607 0.717 473 2HB GLN 58 1HB GLN 58 14.144 3.004 0.494 474 1HG GLN 58 2HG GLN 58 12.374 3.508 2.123 475 2HG GLN 58 1HG GLN 58 12.177 4.500 0.688 476 1HE2 GLN 58 2HE2 GLN 58 9.625 1.284 0.803 477 2HE2 GLN 58 1HE2 GLN 58 11.283 1.043 1.076 478 H SER 59 H SER 59 13.029 0.102 -1.649 479 HA SER 59 HA SER 59 11.475 -1.672 -1.747 480 1HB SER 59 2HB SER 59 10.161 -0.277 -0.050 481 2HB SER 59 1HB SER 59 9.247 0.341 -1.428 482 HG SER 59 HG SER 59 9.634 -2.417 -0.881 483 H LYS 60 H LYS 60 11.067 1.269 -3.605 484 HA LYS 60 HA LYS 60 9.369 0.019 -5.622 485 1HB LYS 60 2HB LYS 60 9.367 2.478 -5.060 486 2HB LYS 60 1HB LYS 60 10.948 2.590 -5.839 487 1HG LYS 60 2HG LYS 60 8.962 1.182 -7.475 488 2HG LYS 60 1HG LYS 60 8.510 2.850 -7.126 489 1HD LYS 60 2HD LYS 60 10.029 3.611 -8.599 490 2HD LYS 60 1HD LYS 60 11.315 2.742 -7.760 491 1HE LYS 60 2HE LYS 60 9.986 0.708 -9.066 492 2HE LYS 60 1HE LYS 60 9.882 2.034 -10.225 493 1HZ LYS 60 3HZ LYS 60 12.457 1.640 -8.930 494 2HZ LYS 60 2HZ LYS 60 11.986 0.444 -10.042 495 3HZ LYS 60 1HZ LYS 60 12.102 2.066 -10.533 496 H GLN 61 H GLN 61 12.835 0.611 -5.219 497 HA GLN 61 HA GLN 61 13.461 -0.074 -7.985 498 1HB GLN 61 2HB GLN 61 14.908 0.832 -5.619 499 2HB GLN 61 1HB GLN 61 15.792 -0.405 -6.514 500 1HG GLN 61 2HG GLN 61 16.070 0.930 -8.355 501 2HG GLN 61 1HG GLN 61 14.513 1.731 -8.138 502 1HE2 GLN 61 2HE2 GLN 61 17.846 3.470 -6.682 503 2HE2 GLN 61 1HE2 GLN 61 17.899 2.076 -7.649 504 H LEU 62 H LEU 62 14.928 -1.581 -5.231 505 HA LEU 62 HA LEU 62 15.734 -3.975 -5.895 506 1HB LEU 62 2HB LEU 62 13.864 -4.623 -3.817 507 2HB LEU 62 1HB LEU 62 15.612 -4.439 -3.707 508 HG LEU 62 HG LEU 62 15.246 -1.938 -3.545 509 1HD1 LEU 62 2HD1 LEU 62 12.883 -2.074 -4.519 510 2HD1 LEU 62 1HD1 LEU 62 12.378 -2.717 -2.962 511 3HD1 LEU 62 3HD1 LEU 62 13.050 -1.093 -3.071 512 1HD2 LEU 62 3HD2 LEU 62 14.221 -3.888 -1.497 513 2HD2 LEU 62 2HD2 LEU 62 15.736 -2.983 -1.504 514 3HD2 LEU 62 1HD2 LEU 62 14.216 -2.154 -1.170 515 H THR 63 H THR 63 12.261 -3.471 -5.529 516 HA THR 63 HA THR 63 11.700 -6.078 -6.768 517 HB THR 63 HB THR 63 10.343 -5.094 -4.860 518 HG1 THR 63 HG1 THR 63 8.297 -5.577 -6.036 519 1HG2 THR 63 3HG2 THR 63 10.326 -2.842 -6.423 520 2HG2 THR 63 2HG2 THR 63 8.720 -3.509 -6.717 521 3HG2 THR 63 1HG2 THR 63 9.232 -3.143 -5.073 522 H GLU 64 H GLU 64 9.206 -4.705 -8.019 523 HA GLU 64 HA GLU 64 10.314 -3.055 -10.142 524 1HB GLU 64 2HB GLU 64 9.438 -4.853 -11.875 525 2HB GLU 64 1HB GLU 64 11.073 -4.971 -11.226 526 1HG GLU 64 2HG GLU 64 10.608 -6.897 -10.139 527 2HG GLU 64 1HG GLU 64 9.093 -6.257 -9.500 528 H ASN 65 H ASN 65 8.604 -1.640 -9.609 529 HA ASN 65 HA ASN 65 6.446 -0.768 -10.011 530 1HB ASN 65 2HB ASN 65 6.613 -2.973 -11.768 531 2HB ASN 65 1HB ASN 65 5.085 -3.155 -10.908 532 1HD2 ASN 65 2HD2 ASN 65 5.586 -0.038 -13.505 533 2HD2 ASN 65 1HD2 ASN 65 6.909 -1.009 -13.072 534 H GLY 66 H GLY 66 7.372 -3.018 -7.863 535 1HA GLY 66 2HA GLY 66 4.940 -4.070 -6.798 536 2HA GLY 66 1HA GLY 66 6.438 -3.855 -5.883 537 H ALA 67 H ALA 67 6.899 -1.457 -5.314 538 HA ALA 67 HA ALA 67 4.739 -0.441 -3.736 539 1HB ALA 67 3HB ALA 67 7.276 0.033 -3.523 540 2HB ALA 67 2HB ALA 67 7.016 1.263 -4.760 541 3HB ALA 67 1HB ALA 67 6.173 1.374 -3.215 542 H GLU 68 H GLU 68 5.946 0.480 -6.961 543 HA GLU 68 HA GLU 68 4.239 2.702 -7.350 544 1HB GLU 68 2HB GLU 68 5.927 0.986 -9.002 545 2HB GLU 68 1HB GLU 68 4.473 1.503 -9.856 546 1HG GLU 68 2HG GLU 68 5.797 3.628 -8.292 547 2HG GLU 68 1HG GLU 68 6.744 3.013 -9.649 548 H SER 69 H SER 69 3.648 -0.712 -7.362 549 HA SER 69 HA SER 69 1.107 -0.537 -8.791 550 1HB SER 69 2HB SER 69 1.761 -2.713 -9.021 551 2HB SER 69 1HB SER 69 2.770 -2.655 -7.580 552 HG SER 69 HG SER 69 0.853 -4.029 -7.463 553 H VAL 70 H VAL 70 1.966 -1.235 -5.355 554 HA VAL 70 HA VAL 70 -0.689 -1.126 -4.418 555 HB VAL 70 HB VAL 70 1.851 -0.222 -3.013 556 1HG1 VAL 70 2HG1 VAL 70 -0.964 -0.631 -1.989 557 2HG1 VAL 70 1HG1 VAL 70 0.446 -0.568 -0.933 558 3HG1 VAL 70 3HG1 VAL 70 0.010 0.838 -1.903 559 1HG2 VAL 70 1HG2 VAL 70 1.124 -2.761 -3.781 560 2HG2 VAL 70 3HG2 VAL 70 2.172 -2.397 -2.410 561 3HG2 VAL 70 2HG2 VAL 70 0.448 -2.671 -2.156 562 H LEU 71 H LEU 71 1.482 1.274 -5.603 563 HA LEU 71 HA LEU 71 0.010 3.448 -4.402 564 1HB LEU 71 2HB LEU 71 2.519 3.206 -5.558 565 2HB LEU 71 1HB LEU 71 1.613 4.142 -6.743 566 HG LEU 71 HG LEU 71 1.936 5.979 -5.484 567 1HD1 LEU 71 1HD1 LEU 71 -0.250 5.295 -4.388 568 2HD1 LEU 71 3HD1 LEU 71 0.722 4.589 -3.093 569 3HD1 LEU 71 2HD1 LEU 71 0.793 6.325 -3.402 570 1HD2 LEU 71 3HD2 LEU 71 3.267 3.913 -3.816 571 2HD2 LEU 71 2HD2 LEU 71 3.970 5.297 -4.653 572 3HD2 LEU 71 1HD2 LEU 71 3.084 5.534 -3.143 573 H GLN 72 H GLN 72 0.153 1.831 -7.519 574 HA GLN 72 HA GLN 72 -1.582 3.644 -8.897 575 1HB GLN 72 2HB GLN 72 -1.116 0.671 -9.230 576 2HB GLN 72 1HB GLN 72 -2.147 1.604 -10.316 577 1HG GLN 72 2HG GLN 72 0.112 3.161 -10.226 578 2HG GLN 72 1HG GLN 72 0.792 1.537 -10.116 579 1HE2 GLN 72 2HE2 GLN 72 -1.251 0.819 -13.282 580 2HE2 GLN 72 1HE2 GLN 72 -1.533 0.376 -11.668 581 H VAL 73 H VAL 73 -2.139 1.062 -6.653 582 HA VAL 73 HA VAL 73 -5.046 1.047 -7.006 583 HB VAL 73 HB VAL 73 -3.206 -0.271 -4.998 584 1HG1 VAL 73 2HG1 VAL 73 -5.465 0.264 -4.047 585 2HG1 VAL 73 1HG1 VAL 73 -6.181 -0.660 -5.362 586 3HG1 VAL 73 3HG1 VAL 73 -5.158 -1.465 -4.186 587 1HG2 VAL 73 2HG2 VAL 73 -4.420 -0.927 -7.612 588 2HG2 VAL 73 1HG2 VAL 73 -2.945 -1.550 -6.865 589 3HG2 VAL 73 3HG2 VAL 73 -4.516 -2.210 -6.402 590 H PHE 74 H PHE 74 -2.946 1.856 -4.222 591 HA PHE 74 HA PHE 74 -4.845 2.929 -2.532 592 1HB PHE 74 2HB PHE 74 -1.947 3.341 -3.013 593 2HB PHE 74 1HB PHE 74 -2.769 4.597 -2.109 594 HD1 PHE 74 HD1 PHE 74 -1.819 1.075 -2.170 595 HD2 PHE 74 HD2 PHE 74 -3.745 4.154 0.089 596 HE1 PHE 74 HE1 PHE 74 -1.753 -0.376 -0.181 597 HE2 PHE 74 HE2 PHE 74 -3.715 2.697 2.084 598 HZ PHE 74 HZ PHE 74 -2.721 0.447 1.946 599 H ARG 75 H ARG 75 -2.908 4.578 -4.984 600 HA ARG 75 HA ARG 75 -4.249 7.089 -4.809 601 1HB ARG 75 2HB ARG 75 -2.699 5.752 -7.044 602 2HB ARG 75 1HB ARG 75 -3.367 7.377 -7.200 603 1HG ARG 75 2HG ARG 75 -1.978 8.250 -5.522 604 2HG ARG 75 1HG ARG 75 -1.665 6.661 -4.824 605 1HD ARG 75 2HD ARG 75 0.279 7.581 -6.120 606 2HD ARG 75 1HD ARG 75 -0.302 6.030 -6.729 607 HE ARG 75 HE ARG 75 -1.615 7.492 -8.426 608 1HH1 ARG 75 2HH1 ARG 75 1.662 7.375 -7.907 609 2HH1 ARG 75 1HH1 ARG 75 2.047 8.826 -8.770 610 1HH2 ARG 75 1HH2 ARG 75 -1.260 9.803 -9.132 611 2HH2 ARG 75 2HH2 ARG 75 0.393 10.201 -9.464 612 H GLU 76 H GLU 76 -4.848 4.173 -6.854 613 HA GLU 76 HA GLU 76 -6.978 5.312 -8.391 614 1HB GLU 76 2HB GLU 76 -6.065 2.588 -7.672 615 2HB GLU 76 1HB GLU 76 -7.768 2.722 -8.113 616 1HG GLU 76 2HG GLU 76 -7.192 3.775 -10.223 617 2HG GLU 76 1HG GLU 76 -5.485 3.814 -9.778 618 H ALA 77 H ALA 77 -6.766 4.370 -5.104 619 HA ALA 77 HA ALA 77 -9.644 4.075 -4.679 620 1HB ALA 77 2HB ALA 77 -7.324 4.304 -2.722 621 2HB ALA 77 1HB ALA 77 -8.978 3.867 -2.293 622 3HB ALA 77 3HB ALA 77 -8.020 2.797 -3.315 623 H LYS 78 H LYS 78 -7.188 6.422 -3.486 624 HA LYS 78 HA LYS 78 -9.077 8.291 -2.500 625 1HB LYS 78 2HB LYS 78 -7.239 9.721 -2.255 626 2HB LYS 78 1HB LYS 78 -6.481 8.136 -2.219 627 1HG LYS 78 2HG LYS 78 -5.142 8.935 -3.864 628 2HG LYS 78 1HG LYS 78 -6.537 8.706 -4.920 629 1HD LYS 78 2HD LYS 78 -5.651 10.995 -5.137 630 2HD LYS 78 1HD LYS 78 -7.273 11.018 -4.442 631 1HE LYS 78 2HE LYS 78 -5.631 10.768 -2.218 632 2HE LYS 78 1HE LYS 78 -4.736 11.873 -3.261 633 1HZ LYS 78 2HZ LYS 78 -7.624 12.236 -2.771 634 2HZ LYS 78 1HZ LYS 78 -6.469 12.852 -1.688 635 3HZ LYS 78 3HZ LYS 78 -6.484 13.379 -3.301 636 H ALA 79 H ALA 79 -8.229 7.400 -5.689 637 HA ALA 79 HA ALA 79 -9.064 9.939 -6.934 638 1HB ALA 79 1HB ALA 79 -7.391 7.897 -7.732 639 2HB ALA 79 3HB ALA 79 -8.870 7.531 -8.625 640 3HB ALA 79 2HB ALA 79 -8.085 9.103 -8.816 641 H GLU 80 H GLU 80 -10.024 6.601 -7.555 642 HA GLU 80 HA GLU 80 -12.456 7.033 -8.771 643 1HB GLU 80 2HB GLU 80 -11.910 4.825 -6.771 644 2HB GLU 80 1HB GLU 80 -13.067 4.798 -8.098 645 1HG GLU 80 2HG GLU 80 -10.349 5.469 -8.964 646 2HG GLU 80 1HG GLU 80 -10.484 3.860 -8.253 647 H GLY 81 H GLY 81 -12.166 6.344 -5.231 648 1HA GLY 81 2HA GLY 81 -14.138 8.434 -4.672 649 2HA GLY 81 1HA GLY 81 -14.806 6.808 -4.513 650 H ALA 82 H ALA 82 -12.377 5.591 -3.505 651 HA ALA 82 HA ALA 82 -12.691 5.685 -0.787 652 1HB ALA 82 1HB ALA 82 -10.632 4.806 -2.568 653 2HB ALA 82 3HB ALA 82 -9.873 5.600 -1.187 654 3HB ALA 82 2HB ALA 82 -10.975 4.247 -0.931 655 H ASP 83 H ASP 83 -11.722 6.839 0.954 656 HA ASP 83 HA ASP 83 -10.813 9.593 0.227 657 1HB ASP 83 2HB ASP 83 -12.490 8.482 2.424 658 2HB ASP 83 1HB ASP 83 -11.373 9.771 2.872 659 H ILE 84 H ILE 84 -8.833 7.993 -0.117 660 HA ILE 84 HA ILE 84 -7.387 7.483 2.413 661 HB ILE 84 HB ILE 84 -6.867 6.762 -0.478 662 1HG1 ILE 84 2HG1 ILE 84 -7.093 4.705 1.617 663 2HG1 ILE 84 1HG1 ILE 84 -8.569 5.631 1.330 664 1HG2 ILE 84 1HG2 ILE 84 -4.758 7.183 0.887 665 2HG2 ILE 84 3HG2 ILE 84 -5.278 5.863 1.937 666 3HG2 ILE 84 2HG2 ILE 84 -4.919 5.554 0.235 667 1HD1 ILE 84 2HD1 ILE 84 -7.789 5.204 -1.217 668 2HD1 ILE 84 1HD1 ILE 84 -7.133 3.752 -0.459 669 3HD1 ILE 84 3HD1 ILE 84 -8.857 4.106 -0.350 670 H THR 85 H THR 85 -5.195 8.238 2.680 671 HA THR 85 HA THR 85 -4.664 10.798 1.239 672 HB THR 85 HB THR 85 -3.415 9.980 3.865 673 HG1 THR 85 HG1 THR 85 -5.147 11.371 4.730 674 1HG2 THR 85 3HG2 THR 85 -2.754 11.994 2.262 675 2HG2 THR 85 2HG2 THR 85 -4.126 12.768 3.056 676 3HG2 THR 85 1HG2 THR 85 -2.762 12.192 4.014 677 H ILE 86 H ILE 86 -3.544 9.803 -0.505 678 HA ILE 86 HA ILE 86 -1.393 7.913 -0.017 679 HB ILE 86 HB ILE 86 -2.722 9.135 -2.350 680 1HG1 ILE 86 2HG1 ILE 86 -2.658 6.913 -3.165 681 2HG1 ILE 86 1HG1 ILE 86 -1.267 6.495 -2.172 682 1HG2 ILE 86 1HG2 ILE 86 0.249 8.718 -2.297 683 2HG2 ILE 86 3HG2 ILE 86 -0.643 8.304 -3.760 684 3HG2 ILE 86 2HG2 ILE 86 -0.689 9.952 -3.136 685 1HD1 ILE 86 1HD1 ILE 86 -3.390 7.368 -0.441 686 2HD1 ILE 86 3HD1 ILE 86 -4.026 6.161 -1.557 687 3HD1 ILE 86 2HD1 ILE 86 -2.641 5.768 -0.529 688 H ILE 87 H ILE 87 0.104 8.868 1.325 689 HA ILE 87 HA ILE 87 1.271 11.482 0.555 690 HB ILE 87 HB ILE 87 2.064 9.740 2.898 691 1HG1 ILE 87 2HG1 ILE 87 -0.108 11.860 2.777 692 2HG1 ILE 87 1HG1 ILE 87 -0.387 10.125 2.933 693 1HG2 ILE 87 1HG2 ILE 87 2.218 12.717 2.334 694 2HG2 ILE 87 3HG2 ILE 87 2.679 11.957 3.857 695 3HG2 ILE 87 2HG2 ILE 87 3.575 11.591 2.382 696 1HD1 ILE 87 2HD1 ILE 87 1.520 10.913 4.919 697 2HD1 ILE 87 1HD1 ILE 87 0.136 12.004 5.010 698 3HD1 ILE 87 3HD1 ILE 87 -0.102 10.263 5.158 699 H LEU 88 H LEU 88 2.981 11.478 -0.821 700 HA LEU 88 HA LEU 88 4.830 9.125 -0.733 701 1HB LEU 88 2HB LEU 88 4.159 10.834 -3.148 702 2HB LEU 88 1HB LEU 88 5.197 9.408 -3.128 703 HG LEU 88 HG LEU 88 2.230 9.474 -2.503 704 1HD1 LEU 88 2HD1 LEU 88 3.287 9.547 -4.951 705 2HD1 LEU 88 1HD1 LEU 88 3.479 7.819 -4.659 706 3HD1 LEU 88 3HD1 LEU 88 1.877 8.552 -4.593 707 1HD2 LEU 88 2HD2 LEU 88 3.507 7.851 -1.106 708 2HD2 LEU 88 1HD2 LEU 88 2.433 7.044 -2.248 709 3HD2 LEU 88 3HD2 LEU 88 4.163 7.134 -2.578 710 H SER 89 HN SER 89 4.502 12.447 -0.245 711 HA SER 89 HA SER 89 6.062 14.196 -0.038 712 1HB SER 89 2HB SER 89 7.950 11.930 0.650 713 2HB SER 89 1HB SER 89 8.047 13.606 1.194 714 HG SER 89 HG SER 89 6.740 11.578 2.300 No H/Q in entry = 714 Start of MODEL 25 1 1H LYS 1 3H LYS 1 -8.229 4.963 8.037 2 2H LYS 1 2H LYS 1 -9.094 3.695 8.765 3 3H LYS 1 1H LYS 1 -8.814 5.137 9.619 4 HA LYS 1 HA LYS 1 -7.106 4.046 10.533 5 1HB LYS 1 2HB LYS 1 -7.810 2.167 8.392 6 2HB LYS 1 1HB LYS 1 -6.088 2.166 8.772 7 1HG LYS 1 2HG LYS 1 -7.282 2.250 11.273 8 2HG LYS 1 1HG LYS 1 -8.341 1.176 10.359 9 1HD LYS 1 2HD LYS 1 -5.803 0.356 9.597 10 2HD LYS 1 1HD LYS 1 -5.611 0.721 11.313 11 1HE LYS 1 2HE LYS 1 -7.988 -0.870 10.398 12 2HE LYS 1 1HE LYS 1 -6.427 -1.669 10.588 13 1HZ LYS 1 1HZ LYS 1 -6.837 -0.042 12.817 14 2HZ LYS 1 3HZ LYS 1 -8.261 -0.931 12.577 15 3HZ LYS 1 2HZ LYS 1 -6.778 -1.739 12.755 16 H LYS 2 H LYS 2 -4.755 4.206 10.336 17 HA LYS 2 HA LYS 2 -3.968 5.806 7.943 18 1HB LYS 2 2HB LYS 2 -2.657 7.191 9.268 19 2HB LYS 2 1HB LYS 2 -3.979 6.829 10.372 20 1HG LYS 2 2HG LYS 2 -2.134 6.424 11.728 21 2HG LYS 2 1HG LYS 2 -2.439 4.811 11.087 22 1HD LYS 2 2HD LYS 2 -0.201 4.941 10.576 23 2HD LYS 2 1HD LYS 2 -0.827 5.749 9.139 24 1HE LYS 2 2HE LYS 2 0.489 7.490 9.734 25 2HE LYS 2 1HE LYS 2 -0.704 7.801 10.995 26 1HZ LYS 2 3HZ LYS 2 1.207 5.741 11.645 27 2HZ LYS 2 2HZ LYS 2 1.896 7.281 11.439 28 3HZ LYS 2 1HZ LYS 2 0.658 7.047 12.579 29 H ALA 3 H ALA 3 -2.764 4.605 6.587 30 HA ALA 3 HA ALA 3 -1.112 2.401 7.683 31 1HB ALA 3 3HB ALA 3 -2.562 2.830 5.244 32 2HB ALA 3 2HB ALA 3 -0.858 2.601 4.851 33 3HB ALA 3 1HB ALA 3 -1.724 1.372 5.775 34 H VAL 4 H VAL 4 1.162 2.311 7.260 35 HA VAL 4 HA VAL 4 2.362 4.814 6.182 36 HB VAL 4 HB VAL 4 3.169 3.444 8.766 37 1HG1 VAL 4 1HG1 VAL 4 4.973 4.500 7.212 38 2HG1 VAL 4 3HG1 VAL 4 4.261 6.040 7.693 39 3HG1 VAL 4 2HG1 VAL 4 4.955 4.970 8.911 40 1HG2 VAL 4 3HG2 VAL 4 1.075 5.092 8.494 41 2HG2 VAL 4 2HG2 VAL 4 2.132 5.169 9.902 42 3HG2 VAL 4 1HG2 VAL 4 2.346 6.311 8.576 43 H ILE 5 H ILE 5 3.766 4.295 4.623 44 HA ILE 5 HA ILE 5 4.816 1.531 4.462 45 HB ILE 5 HB ILE 5 5.268 3.765 2.479 46 1HG1 ILE 5 2HG1 ILE 5 2.766 3.264 3.224 47 2HG1 ILE 5 1HG1 ILE 5 3.164 3.492 1.534 48 1HG2 ILE 5 2HG2 ILE 5 5.690 0.856 2.591 49 2HG2 ILE 5 1HG2 ILE 5 4.907 1.409 1.110 50 3HG2 ILE 5 3HG2 ILE 5 6.472 2.074 1.581 51 1HD1 ILE 5 3HD1 ILE 5 3.480 0.715 2.423 52 2HD1 ILE 5 2HD1 ILE 5 1.830 1.318 2.570 53 3HD1 ILE 5 1HD1 ILE 5 2.646 1.359 1.007 54 H ASN 6 H ASN 6 6.764 1.157 5.381 55 HA ASN 6 HA ASN 6 8.644 3.458 5.612 56 1HB ASN 6 2HB ASN 6 9.036 0.956 7.198 57 2HB ASN 6 1HB ASN 6 9.390 2.626 7.640 58 1HD2 ASN 6 2HD2 ASN 6 6.488 2.629 9.612 59 2HD2 ASN 6 1HD2 ASN 6 8.158 2.909 9.504 60 H GLY 7 H GLY 7 9.814 3.254 3.702 61 1HA GLY 7 2HA GLY 7 10.623 0.692 2.644 62 2HA GLY 7 1HA GLY 7 11.233 2.265 2.111 63 H GLU 8 H GLU 8 11.648 2.411 5.321 64 HA GLU 8 HA GLU 8 14.481 1.725 5.096 65 1HB GLU 8 2HB GLU 8 14.042 3.747 6.288 66 2HB GLU 8 1HB GLU 8 12.808 2.971 7.282 67 1HG GLU 8 2HG GLU 8 14.457 1.649 8.435 68 2HG GLU 8 1HG GLU 8 15.724 2.154 7.316 69 H GLN 9 H GLN 9 11.637 0.166 6.026 70 HA GLN 9 HA GLN 9 13.195 -1.868 7.560 71 1HB GLN 9 2HB GLN 9 11.389 -0.610 8.840 72 2HB GLN 9 1HB GLN 9 10.217 -1.385 7.775 73 1HG GLN 9 2HG GLN 9 10.860 -3.576 8.527 74 2HG GLN 9 1HG GLN 9 12.252 -2.931 9.399 75 1HE2 GLN 9 2HE2 GLN 9 9.176 -3.429 11.649 76 2HE2 GLN 9 1HE2 GLN 9 9.822 -4.437 10.447 77 H ILE 10 H ILE 10 11.167 -1.205 4.881 78 HA ILE 10 HA ILE 10 10.331 -3.950 4.393 79 HB ILE 10 HB ILE 10 10.441 -1.571 2.514 80 1HG1 ILE 10 2HG1 ILE 10 9.005 -1.389 4.627 81 2HG1 ILE 10 1HG1 ILE 10 8.157 -1.171 3.097 82 1HG2 ILE 10 1HG2 ILE 10 9.496 -4.383 2.258 83 2HG2 ILE 10 3HG2 ILE 10 8.467 -3.131 1.560 84 3HG2 ILE 10 2HG2 ILE 10 10.140 -3.295 1.027 85 1HD1 ILE 10 1HD1 ILE 10 7.577 -3.640 3.191 86 2HD1 ILE 10 3HD1 ILE 10 8.214 -3.648 4.836 87 3HD1 ILE 10 2HD1 ILE 10 6.817 -2.649 4.436 88 H ARG 11 H ARG 11 12.042 -5.346 4.158 89 HA ARG 11 HA ARG 11 14.523 -4.666 2.840 90 1HB ARG 11 2HB ARG 11 13.724 -7.520 2.791 91 2HB ARG 11 1HB ARG 11 15.204 -6.777 3.402 92 1HG ARG 11 2HG ARG 11 13.774 -5.901 5.340 93 2HG ARG 11 1HG ARG 11 12.538 -7.033 4.783 94 1HD ARG 11 2HD ARG 11 15.069 -8.392 4.888 95 2HD ARG 11 1HD ARG 11 14.785 -7.593 6.434 96 HE ARG 11 HE ARG 11 12.375 -8.811 5.952 97 1HH1 ARG 11 1HH2 ARG 11 14.718 -10.438 4.423 98 2HH1 ARG 11 2HH2 ARG 11 14.782 -11.808 5.479 99 1HH2 ARG 11 2HH1 ARG 11 12.850 -10.329 7.950 100 2HH2 ARG 11 1HH1 ARG 11 13.724 -11.747 7.476 101 H SER 12 H SER 12 11.616 -6.428 1.837 102 HA SER 12 HA SER 12 12.275 -5.758 -0.987 103 1HB SER 12 2HB SER 12 13.029 -8.158 -0.242 104 2HB SER 12 1HB SER 12 11.309 -8.529 -0.331 105 HG SER 12 HG SER 12 12.596 -7.170 -2.435 106 H ILE 13 H ILE 13 10.323 -6.277 -2.424 107 HA ILE 13 HA ILE 13 8.029 -4.936 -1.575 108 HB ILE 13 HB ILE 13 8.441 -5.535 -3.927 109 1HG1 ILE 13 2HG1 ILE 13 6.141 -6.212 -4.511 110 2HG1 ILE 13 1HG1 ILE 13 5.866 -6.729 -2.847 111 1HG2 ILE 13 1HG2 ILE 13 8.401 -8.239 -2.752 112 2HG2 ILE 13 3HG2 ILE 13 7.509 -8.090 -4.267 113 3HG2 ILE 13 2HG2 ILE 13 9.217 -7.654 -4.202 114 1HD1 ILE 13 2HD1 ILE 13 6.892 -4.057 -2.797 115 2HD1 ILE 13 1HD1 ILE 13 5.554 -4.115 -3.943 116 3HD1 ILE 13 3HD1 ILE 13 5.308 -4.628 -2.275 117 H SER 14 H SER 14 9.004 -8.215 -0.883 118 HA SER 14 HA SER 14 6.506 -9.351 -0.179 119 1HB SER 14 2HB SER 14 8.164 -10.483 1.650 120 2HB SER 14 1HB SER 14 8.097 -10.983 -0.037 121 HG SER 14 HG SER 14 9.896 -9.180 1.209 122 H ASP 15 H ASP 15 8.839 -7.614 1.916 123 HA ASP 15 HA ASP 15 7.144 -7.627 4.221 124 1HB ASP 15 2HB ASP 15 9.678 -6.417 3.393 125 2HB ASP 15 1HB ASP 15 8.747 -5.392 4.477 126 H LEU 16 H LEU 16 7.127 -5.795 1.339 127 HA LEU 16 HA LEU 16 5.819 -3.413 2.328 128 1HB LEU 16 2HB LEU 16 6.964 -3.511 0.136 129 2HB LEU 16 1HB LEU 16 5.758 -4.657 -0.434 130 HG LEU 16 HG LEU 16 4.233 -3.023 -0.836 131 1HD1 LEU 16 2HD1 LEU 16 5.149 -1.786 1.773 132 2HD1 LEU 16 1HD1 LEU 16 4.004 -0.980 0.701 133 3HD1 LEU 16 3HD1 LEU 16 3.596 -2.540 1.416 134 1HD2 LEU 16 3HD2 LEU 16 6.474 -2.159 -1.686 135 2HD2 LEU 16 2HD2 LEU 16 5.205 -0.950 -1.481 136 3HD2 LEU 16 1HD2 LEU 16 6.485 -1.102 -0.273 137 H HIS 17 H HIS 17 4.545 -6.121 0.386 138 HA HIS 17 HA HIS 17 1.811 -5.537 0.754 139 1HB HIS 17 2HB HIS 17 3.220 -8.180 0.327 140 2HB HIS 17 1HB HIS 17 1.464 -7.994 0.273 141 HD1 HIS 17 HD1 HIS 17 0.726 -5.871 -1.432 142 HD2 HIS 17 HD2 HIS 17 4.341 -7.816 -2.164 143 HE1 HIS 17 HE1 HIS 17 1.351 -5.345 -3.830 144 H GLN 18 H GLN 18 4.103 -6.881 2.932 145 HA GLN 18 HA GLN 18 2.107 -8.037 4.729 146 1HB GLN 18 2HB GLN 18 5.068 -7.499 5.047 147 2HB GLN 18 1HB GLN 18 4.078 -8.270 6.286 148 1HG GLN 18 2HG GLN 18 3.372 -9.821 4.232 149 2HG GLN 18 1HG GLN 18 4.954 -9.323 3.632 150 1HE2 GLN 18 2HE2 GLN 18 4.717 -11.743 6.932 151 2HE2 GLN 18 1HE2 GLN 18 3.329 -10.943 6.372 152 H THR 19 H THR 19 3.930 -5.092 4.430 153 HA THR 19 HA THR 19 3.183 -3.994 6.991 154 HB THR 19 HB THR 19 4.421 -2.919 4.478 155 HG1 THR 19 HG1 THR 19 5.955 -2.267 6.161 156 1HG2 THR 19 2HG2 THR 19 2.848 -1.360 6.405 157 2HG2 THR 19 1HG2 THR 19 4.498 -0.771 6.205 158 3HG2 THR 19 3HG2 THR 19 3.435 -0.910 4.803 159 H LEU 20 H LEU 20 1.801 -3.956 3.801 160 HA LEU 20 HA LEU 20 -0.308 -2.036 4.544 161 1HB LEU 20 2HB LEU 20 -0.532 -3.851 2.159 162 2HB LEU 20 1HB LEU 20 -1.046 -2.170 2.331 163 HG LEU 20 HG LEU 20 1.842 -3.042 2.310 164 1HD1 LEU 20 3HD1 LEU 20 -0.021 -2.830 0.139 165 2HD1 LEU 20 2HD1 LEU 20 1.189 -1.556 -0.006 166 3HD1 LEU 20 1HD1 LEU 20 1.693 -3.244 0.082 167 1HD2 LEU 20 2HD2 LEU 20 0.809 -0.757 3.295 168 2HD2 LEU 20 1HD2 LEU 20 2.370 -0.808 2.474 169 3HD2 LEU 20 3HD2 LEU 20 0.927 -0.303 1.594 170 H LYS 21 H LYS 21 0.204 -5.467 4.199 171 HA LYS 21 HA LYS 21 -2.542 -6.258 4.674 172 1HB LYS 21 2HB LYS 21 -1.087 -7.875 3.661 173 2HB LYS 21 1HB LYS 21 0.102 -7.704 4.956 174 1HG LYS 21 2HG LYS 21 -1.129 -8.970 6.441 175 2HG LYS 21 1HG LYS 21 -2.670 -8.499 5.723 176 1HD LYS 21 2HD LYS 21 -2.350 -9.983 3.858 177 2HD LYS 21 1HD LYS 21 -0.678 -10.300 4.325 178 1HE LYS 21 2HE LYS 21 -3.073 -10.996 6.047 179 2HE LYS 21 1HE LYS 21 -2.270 -12.138 4.970 180 1HZ LYS 21 2HZ LYS 21 -0.177 -11.625 6.175 181 2HZ LYS 21 1HZ LYS 21 -1.087 -10.730 7.296 182 3HZ LYS 21 3HZ LYS 21 -1.351 -12.396 7.130 183 H LYS 22 H LYS 22 0.086 -5.196 6.667 184 HA LYS 22 HA LYS 22 -1.172 -6.240 9.129 185 1HB LYS 22 2HB LYS 22 0.846 -5.870 10.163 186 2HB LYS 22 1HB LYS 22 1.433 -5.930 8.504 187 1HG LYS 22 2HG LYS 22 1.073 -3.396 8.436 188 2HG LYS 22 1HG LYS 22 0.871 -3.479 10.186 189 1HD LYS 22 2HD LYS 22 3.286 -4.615 8.756 190 2HD LYS 22 1HD LYS 22 3.235 -2.970 9.391 191 1HE LYS 22 2HE LYS 22 3.230 -5.575 10.879 192 2HE LYS 22 1HE LYS 22 4.158 -4.109 11.198 193 1HZ LYS 22 2HZ LYS 22 1.921 -3.054 11.694 194 2HZ LYS 22 1HZ LYS 22 1.304 -4.635 11.760 195 3HZ LYS 22 3HZ LYS 22 2.521 -4.156 12.840 196 H GLU 23 H GLU 23 -0.723 -3.171 7.420 197 HA GLU 23 HA GLU 23 -1.885 -1.608 9.603 198 1HB GLU 23 2HB GLU 23 -1.390 -0.839 6.717 199 2HB GLU 23 1HB GLU 23 -1.754 0.273 8.037 200 1HG GLU 23 2HG GLU 23 0.332 0.021 9.015 201 2HG GLU 23 1HG GLU 23 0.565 -1.595 8.345 202 H LEU 24 H LEU 24 -2.887 -2.271 6.300 203 HA LEU 24 HA LEU 24 -5.592 -1.412 6.630 204 1HB LEU 24 2HB LEU 24 -4.641 -3.508 4.662 205 2HB LEU 24 1HB LEU 24 -5.983 -2.381 4.476 206 HG LEU 24 HG LEU 24 -3.182 -1.346 4.868 207 1HD1 LEU 24 2HD1 LEU 24 -3.239 -3.016 2.973 208 2HD1 LEU 24 1HD1 LEU 24 -4.418 -1.968 2.181 209 3HD1 LEU 24 3HD1 LEU 24 -2.787 -1.378 2.506 210 1HD2 LEU 24 3HD2 LEU 24 -5.689 -0.172 4.650 211 2HD2 LEU 24 2HD2 LEU 24 -4.141 0.643 4.440 212 3HD2 LEU 24 1HD2 LEU 24 -5.003 0.013 3.035 213 H ALA 25 H ALA 25 -3.902 -4.379 7.340 214 HA ALA 25 HA ALA 25 -4.633 -6.202 8.643 215 1HB ALA 25 1HB ALA 25 -6.423 -4.169 9.292 216 2HB ALA 25 3HB ALA 25 -7.462 -5.502 8.789 217 3HB ALA 25 2HB ALA 25 -6.299 -5.736 10.095 218 H LEU 26 H LEU 26 -4.412 -6.591 5.990 219 HA LEU 26 HA LEU 26 -6.890 -7.485 4.758 220 1HB LEU 26 2HB LEU 26 -4.073 -8.236 3.925 221 2HB LEU 26 1HB LEU 26 -5.515 -8.151 2.914 222 HG LEU 26 HG LEU 26 -4.323 -5.761 4.338 223 1HD1 LEU 26 2HD1 LEU 26 -3.502 -7.098 1.927 224 2HD1 LEU 26 1HD1 LEU 26 -4.165 -5.515 1.521 225 3HD1 LEU 26 3HD1 LEU 26 -2.829 -5.644 2.666 226 1HD2 LEU 26 1HD2 LEU 26 -6.863 -6.244 3.179 227 2HD2 LEU 26 3HD2 LEU 26 -6.207 -4.693 3.707 228 3HD2 LEU 26 2HD2 LEU 26 -5.986 -5.222 2.039 229 HA PRO 27 HA PRO 27 -7.061 -11.580 6.261 230 1HB PRO 27 2HB PRO 27 -7.896 -12.963 4.039 231 2HB PRO 27 1HB PRO 27 -8.941 -11.881 4.982 232 1HG PRO 27 2HG PRO 27 -7.686 -11.428 2.318 233 2HG PRO 27 1HG PRO 27 -9.165 -10.726 2.993 234 1HD PRO 27 2HD PRO 27 -6.647 -9.462 2.807 235 2HD PRO 27 1HD PRO 27 -8.030 -8.889 3.764 236 H GLU 28 H GLU 28 -6.622 -14.016 5.125 237 HA GLU 28 HA GLU 28 -3.708 -14.153 5.061 238 1HB GLU 28 2HB GLU 28 -5.002 -15.851 6.254 239 2HB GLU 28 1HB GLU 28 -5.835 -16.290 4.760 240 1HG GLU 28 2HG GLU 28 -3.751 -17.037 3.756 241 2HG GLU 28 1HG GLU 28 -2.834 -16.474 5.154 242 H TYR 29 H TYR 29 -6.305 -15.058 2.746 243 HA TYR 29 HA TYR 29 -4.499 -15.892 0.706 244 1HB TYR 29 2HB TYR 29 -6.348 -16.094 -0.692 245 2HB TYR 29 1HB TYR 29 -7.087 -16.219 0.905 246 HD1 TYR 29 HD2 TYR 29 -7.836 -13.938 1.986 247 HD2 TYR 29 HD1 TYR 29 -7.186 -14.530 -2.219 248 HE1 TYR 29 HE2 TYR 29 -9.304 -11.997 1.476 249 HE2 TYR 29 HE1 TYR 29 -8.641 -12.589 -2.723 250 HH TYR 29 HH TYR 29 -10.293 -11.241 -1.787 251 H TYR 30 H TYR 30 -4.993 -12.800 1.916 252 HA TYR 30 HA TYR 30 -5.058 -10.904 0.010 253 1HB TYR 30 2HB TYR 30 -4.316 -10.405 2.296 254 2HB TYR 30 1HB TYR 30 -2.763 -11.176 1.974 255 HD1 TYR 30 HD1 TYR 30 -4.616 -9.166 -0.511 256 HD2 TYR 30 HD2 TYR 30 -1.381 -9.223 2.314 257 HE1 TYR 30 HE1 TYR 30 -3.758 -7.037 -1.449 258 HE2 TYR 30 HE2 TYR 30 -0.521 -7.099 1.372 259 HH TYR 30 HH TYR 30 -1.312 -5.915 -1.520 260 H GLY 31 H GLY 31 -4.436 -11.055 -2.074 261 1HA GLY 31 2HA GLY 31 -2.322 -12.707 -3.045 262 2HA GLY 31 1HA GLY 31 -3.104 -11.422 -3.967 263 H GLU 32 H GLU 32 -2.109 -9.769 -1.383 264 HA GLU 32 HA GLU 32 -0.337 -8.255 -1.080 265 1HB GLU 32 2HB GLU 32 1.182 -10.702 -2.042 266 2HB GLU 32 1HB GLU 32 1.942 -9.271 -1.348 267 1HG GLU 32 2HG GLU 32 0.597 -9.590 0.721 268 2HG GLU 32 1HG GLU 32 -0.072 -11.068 0.030 269 H ASN 33 H ASN 33 -1.705 -7.827 -3.420 270 HA ASN 33 HA ASN 33 0.414 -6.728 -5.137 271 1HB ASN 33 2HB ASN 33 -1.014 -7.772 -7.145 272 2HB ASN 33 1HB ASN 33 0.329 -8.648 -6.415 273 1HD2 ASN 33 2HD2 ASN 33 -3.287 -9.769 -4.846 274 2HD2 ASN 33 1HD2 ASN 33 -2.848 -8.130 -4.868 275 H LEU 34 H LEU 34 -1.115 -5.907 -7.274 276 HA LEU 34 HA LEU 34 -2.770 -3.851 -6.015 277 1HB LEU 34 2HB LEU 34 -3.154 -3.212 -8.490 278 2HB LEU 34 1HB LEU 34 -1.514 -3.068 -7.856 279 HG LEU 34 HG LEU 34 -2.088 -5.743 -8.894 280 1HD1 LEU 34 1HD1 LEU 34 -2.596 -3.318 -10.572 281 2HD1 LEU 34 3HD1 LEU 34 -1.756 -4.680 -11.315 282 3HD1 LEU 34 2HD1 LEU 34 -3.367 -4.904 -10.631 283 1HD2 LEU 34 2HD2 LEU 34 0.115 -4.233 -8.349 284 2HD2 LEU 34 1HD2 LEU 34 0.132 -5.627 -9.430 285 3HD2 LEU 34 3HD2 LEU 34 -0.012 -3.998 -10.093 286 H ASP 35 H ASP 35 -3.358 -6.992 -7.200 287 HA ASP 35 HA ASP 35 -6.094 -6.463 -8.091 288 1HB ASP 35 2HB ASP 35 -6.011 -9.151 -7.601 289 2HB ASP 35 1HB ASP 35 -5.624 -8.406 -9.147 290 H ALA 36 H ALA 36 -4.739 -8.381 -5.370 291 HA ALA 36 HA ALA 36 -7.318 -8.441 -4.046 292 1HB ALA 36 2HB ALA 36 -4.573 -9.419 -3.438 293 2HB ALA 36 1HB ALA 36 -5.643 -9.146 -2.064 294 3HB ALA 36 3HB ALA 36 -6.114 -10.273 -3.336 295 H LEU 37 H LEU 37 -4.550 -6.371 -4.012 296 HA LEU 37 HA LEU 37 -5.179 -4.996 -1.534 297 1HB LEU 37 2HB LEU 37 -2.925 -4.870 -2.522 298 2HB LEU 37 1HB LEU 37 -3.594 -4.067 -3.943 299 HG LEU 37 HG LEU 37 -4.538 -2.642 -1.678 300 1HD1 LEU 37 1HD1 LEU 37 -1.635 -3.446 -1.542 301 2HD1 LEU 37 3HD1 LEU 37 -2.179 -1.906 -0.877 302 3HD1 LEU 37 2HD1 LEU 37 -2.832 -3.418 -0.248 303 1HD2 LEU 37 1HD2 LEU 37 -3.640 -2.083 -4.171 304 2HD2 LEU 37 3HD2 LEU 37 -3.798 -0.855 -2.916 305 3HD2 LEU 37 2HD2 LEU 37 -2.229 -1.592 -3.231 306 H TRP 38 H TRP 38 -5.614 -4.164 -4.979 307 HA TRP 38 HA TRP 38 -7.211 -1.844 -4.534 308 1HB TRP 38 2HB TRP 38 -6.295 -2.349 -6.745 309 2HB TRP 38 1HB TRP 38 -7.157 -3.875 -6.776 310 HD1 TRP 38 HD1 TRP 38 -9.176 -3.850 -8.169 311 HE1 TRP 38 HE1 TRP 38 -10.935 -2.132 -8.938 312 HE3 TRP 38 HE3 TRP 38 -7.474 0.316 -5.745 313 HZ2 TRP 38 HZ2 TRP 38 -11.528 0.638 -8.587 314 HZ3 TRP 38 HZ3 TRP 38 -8.638 2.477 -5.999 315 HH2 TRP 38 HH2 TRP 38 -10.668 2.645 -7.411 316 H ASP 39 H ASP 39 -7.930 -5.242 -4.809 317 HA ASP 39 HA ASP 39 -10.782 -5.031 -4.640 318 1HB ASP 39 2HB ASP 39 -8.774 -7.155 -4.473 319 2HB ASP 39 1HB ASP 39 -10.156 -7.432 -3.408 320 H ALA 40 H ALA 40 -8.228 -4.935 -2.286 321 HA ALA 40 HA ALA 40 -10.053 -5.213 0.001 322 1HB ALA 40 1HB ALA 40 -7.705 -5.984 0.179 323 2HB ALA 40 3HB ALA 40 -7.150 -4.327 -0.070 324 3HB ALA 40 2HB ALA 40 -8.072 -4.741 1.376 325 H LEU 41 H LEU 41 -7.739 -2.612 -0.755 326 HA LEU 41 HA LEU 41 -8.733 -0.532 0.680 327 1HB LEU 41 2HB LEU 41 -7.625 -0.609 -2.099 328 2HB LEU 41 1HB LEU 41 -8.269 0.912 -1.485 329 HG LEU 41 HG LEU 41 -6.398 -0.599 0.279 330 1HD1 LEU 41 3HD1 LEU 41 -5.412 -0.622 -2.066 331 2HD1 LEU 41 2HD1 LEU 41 -5.424 1.141 -2.013 332 3HD1 LEU 41 1HD1 LEU 41 -4.434 0.229 -0.870 333 1HD2 LEU 41 1HD2 LEU 41 -7.573 1.616 0.804 334 2HD2 LEU 41 3HD2 LEU 41 -5.828 1.568 1.054 335 3HD2 LEU 41 2HD2 LEU 41 -6.494 2.343 -0.386 336 H THR 42 H THR 42 -9.908 -1.402 -2.519 337 HA THR 42 HA THR 42 -12.252 0.347 -2.238 338 HB THR 42 HB THR 42 -12.679 -0.110 -4.494 339 HG1 THR 42 HG1 THR 42 -11.584 -2.074 -5.407 340 1HG2 THR 42 1HG2 THR 42 -10.433 0.926 -4.145 341 2HG2 THR 42 3HG2 THR 42 -9.716 -0.684 -4.219 342 3HG2 THR 42 2HG2 THR 42 -10.533 -0.015 -5.632 343 H GLY 43 H GLY 43 -12.328 -1.504 -0.167 344 1HA GLY 43 2HA GLY 43 -14.781 -2.466 0.115 345 2HA GLY 43 1HA GLY 43 -14.191 -3.637 -1.067 346 H TRP 44 H TRP 44 -12.336 -2.214 1.643 347 HA TRP 44 HA TRP 44 -12.637 -4.552 3.328 348 1HB TRP 44 2HB TRP 44 -11.201 -5.611 1.662 349 2HB TRP 44 1HB TRP 44 -10.061 -4.267 1.755 350 HD1 TRP 44 HD1 TRP 44 -9.014 -3.838 4.316 351 HE1 TRP 44 HE1 TRP 44 -8.240 -5.601 6.027 352 HE3 TRP 44 HE3 TRP 44 -11.445 -7.942 2.507 353 HZ2 TRP 44 HZ2 TRP 44 -8.606 -8.393 6.559 354 HZ3 TRP 44 HZ3 TRP 44 -11.219 -10.139 3.631 355 HH2 TRP 44 HH2 TRP 44 -9.803 -10.368 5.654 356 H VAL 45 H VAL 45 -10.509 -1.911 2.371 357 HA VAL 45 HA VAL 45 -9.520 -1.461 5.069 358 HB VAL 45 HB VAL 45 -9.222 -0.233 2.370 359 1HG1 VAL 45 1HG1 VAL 45 -9.697 1.709 3.782 360 2HG1 VAL 45 3HG1 VAL 45 -8.443 1.199 4.914 361 3HG1 VAL 45 2HG1 VAL 45 -8.007 1.688 3.277 362 1HG2 VAL 45 1HG2 VAL 45 -7.318 -1.065 4.571 363 2HG2 VAL 45 3HG2 VAL 45 -7.683 -1.973 3.104 364 3HG2 VAL 45 2HG2 VAL 45 -6.821 -0.438 2.999 365 H GLU 46 H GLU 46 -9.828 0.768 6.083 366 HA GLU 46 HA GLU 46 -12.677 1.620 5.764 367 1HB GLU 46 2HB GLU 46 -10.835 1.649 8.169 368 2HB GLU 46 1HB GLU 46 -12.382 2.495 8.133 369 1HG GLU 46 2HG GLU 46 -12.438 -0.341 7.261 370 2HG GLU 46 1HG GLU 46 -12.120 -0.068 8.974 371 H TYR 47 H TYR 47 -13.065 3.772 5.325 372 HA TYR 47 HA TYR 47 -10.667 5.549 5.160 373 1HB TYR 47 2HB TYR 47 -13.218 5.620 3.518 374 2HB TYR 47 1HB TYR 47 -11.841 6.708 3.321 375 HD1 TYR 47 HD2 TYR 47 -9.558 4.815 3.716 376 HD2 TYR 47 HD1 TYR 47 -13.229 4.368 1.517 377 HE1 TYR 47 HE2 TYR 47 -8.467 3.145 2.229 378 HE2 TYR 47 HE1 TYR 47 -12.136 2.703 0.041 379 HH TYR 47 HH TYR 47 -9.374 1.157 0.768 380 HA PRO 48 HA PRO 48 -10.855 7.853 4.288 381 1HB PRO 48 2HB PRO 48 -9.658 9.904 5.676 382 2HB PRO 48 1HB PRO 48 -11.143 10.086 4.721 383 1HG PRO 48 2HG PRO 48 -10.820 9.920 7.689 384 2HG PRO 48 1HG PRO 48 -12.057 10.761 6.739 385 1HD PRO 48 2HD PRO 48 -12.430 8.305 8.038 386 2HD PRO 48 1HD PRO 48 -13.449 8.930 6.721 387 H LEU 49 H LEU 49 -8.776 7.152 4.006 388 HA LEU 49 HA LEU 49 -7.369 6.111 6.429 389 1HB LEU 49 2HB LEU 49 -7.760 4.220 5.133 390 2HB LEU 49 1HB LEU 49 -7.693 5.120 3.621 391 HG LEU 49 HG LEU 49 -5.150 5.415 4.208 392 1HD1 LEU 49 1HD1 LEU 49 -6.121 3.620 6.298 393 2HD1 LEU 49 3HD1 LEU 49 -4.798 2.911 5.372 394 3HD1 LEU 49 2HD1 LEU 49 -4.577 4.461 6.179 395 1HD2 LEU 49 3HD2 LEU 49 -6.677 3.435 2.810 396 2HD2 LEU 49 2HD2 LEU 49 -5.058 4.040 2.439 397 3HD2 LEU 49 1HD2 LEU 49 -5.263 2.666 3.529 398 H VAL 50 H VAL 50 -4.969 6.265 6.341 399 HA VAL 50 HA VAL 50 -4.081 8.587 4.669 400 HB VAL 50 HB VAL 50 -3.808 8.030 7.567 401 1HG1 VAL 50 1HG1 VAL 50 -1.444 8.830 5.873 402 2HG1 VAL 50 3HG1 VAL 50 -1.602 9.413 7.529 403 3HG1 VAL 50 2HG1 VAL 50 -1.502 7.682 7.209 404 1HG2 VAL 50 3HG2 VAL 50 -4.893 10.005 6.174 405 2HG2 VAL 50 2HG2 VAL 50 -4.106 10.322 7.721 406 3HG2 VAL 50 1HG2 VAL 50 -3.248 10.637 6.212 407 H LEU 51 H LEU 51 -2.962 7.558 3.004 408 HA LEU 51 HA LEU 51 -1.269 5.226 3.664 409 1HB LEU 51 2HB LEU 51 -2.561 5.320 1.508 410 2HB LEU 51 1HB LEU 51 -1.542 6.679 1.012 411 HG LEU 51 HG LEU 51 0.450 5.097 1.506 412 1HD1 LEU 51 2HD1 LEU 51 -1.814 3.357 1.986 413 2HD1 LEU 51 1HD1 LEU 51 -0.734 2.698 0.745 414 3HD1 LEU 51 3HD1 LEU 51 -0.110 3.096 2.353 415 1HD2 LEU 51 2HD2 LEU 51 -1.461 4.863 -0.780 416 2HD2 LEU 51 1HD2 LEU 51 0.129 5.632 -0.740 417 3HD2 LEU 51 3HD2 LEU 51 -0.005 3.873 -0.734 418 H GLU 52 H GLU 52 -0.034 6.777 5.174 419 HA GLU 52 HA GLU 52 1.670 8.798 4.024 420 1HB GLU 52 2HB GLU 52 1.244 8.868 6.394 421 2HB GLU 52 1HB GLU 52 1.834 7.220 6.603 422 1HG GLU 52 2HG GLU 52 4.087 7.871 6.086 423 2HG GLU 52 1HG GLU 52 3.566 9.470 5.557 424 H TRP 53 H TRP 53 2.561 7.648 2.145 425 HA TRP 53 HA TRP 53 4.192 5.282 2.558 426 1HB TRP 53 2HB TRP 53 2.978 6.159 0.382 427 2HB TRP 53 1HB TRP 53 4.501 7.026 0.139 428 HD1 TRP 53 HD1 TRP 53 6.747 5.261 0.656 429 HE1 TRP 53 HE1 TRP 53 7.074 2.913 -0.357 430 HE3 TRP 53 HE3 TRP 53 1.939 4.195 -0.683 431 HZ2 TRP 53 HZ2 TRP 53 5.503 0.865 -1.566 432 HZ3 TRP 53 HZ3 TRP 53 1.378 2.044 -1.761 433 HH2 TRP 53 HH2 TRP 53 3.158 0.367 -2.203 434 H ARG 54 H ARG 54 5.794 5.843 4.098 435 HA ARG 54 HA ARG 54 7.319 8.213 4.150 436 1HB ARG 54 2HB ARG 54 8.342 5.460 4.905 437 2HB ARG 54 1HB ARG 54 8.905 7.010 5.525 438 1HG ARG 54 2HG ARG 54 6.158 7.065 5.982 439 2HG ARG 54 1HG ARG 54 6.618 5.402 6.352 440 1HD ARG 54 2HD ARG 54 7.882 7.908 7.500 441 2HD ARG 54 1HD ARG 54 6.847 6.770 8.363 442 HE ARG 54 HE ARG 54 8.945 5.216 7.386 443 1HH1 ARG 54 2HH1 ARG 54 8.194 6.198 10.296 444 2HH1 ARG 54 1HH1 ARG 54 9.764 6.701 10.829 445 1HH2 ARG 54 1HH2 ARG 54 11.150 6.652 7.651 446 2HH2 ARG 54 2HH2 ARG 54 11.437 6.958 9.332 447 H GLN 55 H GLN 55 9.102 5.261 3.319 448 HA GLN 55 HA GLN 55 10.542 6.814 1.262 449 1HB GLN 55 2HB GLN 55 11.003 4.088 2.501 450 2HB GLN 55 1HB GLN 55 11.985 4.723 1.180 451 1HG GLN 55 2HG GLN 55 12.571 6.688 2.553 452 2HG GLN 55 1HG GLN 55 11.591 6.056 3.877 453 1HE2 GLN 55 1HE2 GLN 55 14.321 6.480 4.356 454 2HE2 GLN 55 2HE2 GLN 55 15.119 4.986 4.479 455 H PHE 56 H PHE 56 9.518 6.847 -0.679 456 HA PHE 56 HA PHE 56 8.125 4.378 -1.592 457 1HB PHE 56 2HB PHE 56 6.805 6.458 -1.602 458 2HB PHE 56 1HB PHE 56 8.004 7.220 -2.645 459 HD1 PHE 56 HD2 PHE 56 5.481 4.502 -2.443 460 HD2 PHE 56 HD1 PHE 56 8.072 6.784 -4.998 461 HE1 PHE 56 HE2 PHE 56 4.350 3.558 -4.429 462 HE2 PHE 56 HE1 PHE 56 6.943 5.841 -6.986 463 HZ PHE 56 HZ PHE 56 5.080 4.231 -6.706 464 H GLU 57 H GLU 57 10.949 6.275 -2.132 465 HA GLU 57 HA GLU 57 11.343 5.415 -4.900 466 1HB GLU 57 2HB GLU 57 12.629 7.229 -3.020 467 2HB GLU 57 1HB GLU 57 13.812 6.250 -3.888 468 1HG GLU 57 2HG GLU 57 11.584 7.845 -5.189 469 2HG GLU 57 1HG GLU 57 13.276 8.341 -5.113 470 H GLN 58 H GLN 58 13.383 4.881 -2.010 471 HA GLN 58 HA GLN 58 14.885 2.745 -3.010 472 1HB GLN 58 2HB GLN 58 14.825 1.998 -0.462 473 2HB GLN 58 1HB GLN 58 15.679 3.458 -0.962 474 1HG GLN 58 2HG GLN 58 12.842 3.954 -0.464 475 2HG GLN 58 1HG GLN 58 13.670 3.323 0.959 476 1HE2 GLN 58 2HE2 GLN 58 14.253 7.146 -0.054 477 2HE2 GLN 58 1HE2 GLN 58 13.002 6.188 -0.685 478 H SER 59 H SER 59 12.039 2.323 -0.859 479 HA SER 59 HA SER 59 11.825 -0.457 -1.094 480 1HB SER 59 2HB SER 59 9.416 -0.155 -0.565 481 2HB SER 59 1HB SER 59 10.452 0.841 0.461 482 HG SER 59 HG SER 59 8.750 2.076 -0.359 483 H LYS 60 H LYS 60 11.074 1.984 -3.445 484 HA LYS 60 HA LYS 60 9.421 0.211 -5.096 485 1HB LYS 60 2HB LYS 60 8.983 2.613 -5.048 486 2HB LYS 60 1HB LYS 60 10.608 2.932 -5.662 487 1HG LYS 60 2HG LYS 60 9.915 1.355 -7.621 488 2HG LYS 60 1HG LYS 60 8.267 1.676 -7.080 489 1HD LYS 60 2HD LYS 60 8.354 3.558 -8.322 490 2HD LYS 60 1HD LYS 60 9.461 4.193 -7.106 491 1HE LYS 60 2HE LYS 60 11.125 4.205 -8.616 492 2HE LYS 60 1HE LYS 60 10.944 2.464 -8.834 493 1HZ LYS 60 3HZ LYS 60 9.100 4.349 -10.154 494 2HZ LYS 60 2HZ LYS 60 10.610 3.988 -10.846 495 3HZ LYS 60 1HZ LYS 60 9.476 2.752 -10.582 496 H GLN 61 H GLN 61 12.798 1.234 -5.019 497 HA GLN 61 HA GLN 61 13.390 0.278 -7.695 498 1HB GLN 61 2HB GLN 61 14.992 1.290 -5.384 499 2HB GLN 61 1HB GLN 61 15.819 0.438 -6.690 500 1HG GLN 61 2HG GLN 61 14.492 2.030 -8.263 501 2HG GLN 61 1HG GLN 61 14.254 3.008 -6.815 502 1HE2 GLN 61 2HE2 GLN 61 18.054 3.097 -6.549 503 2HE2 GLN 61 1HE2 GLN 61 16.881 2.282 -5.632 504 H LEU 62 H LEU 62 14.646 -0.826 -4.613 505 HA LEU 62 HA LEU 62 15.850 -3.169 -5.244 506 1HB LEU 62 2HB LEU 62 14.419 -4.043 -3.049 507 2HB LEU 62 1HB LEU 62 15.934 -3.141 -2.987 508 HG LEU 62 HG LEU 62 14.691 -1.030 -2.892 509 1HD1 LEU 62 2HD1 LEU 62 12.494 -2.822 -3.632 510 2HD1 LEU 62 1HD1 LEU 62 12.083 -1.740 -2.314 511 3HD1 LEU 62 3HD1 LEU 62 12.630 -1.075 -3.853 512 1HD2 LEU 62 1HD2 LEU 62 15.198 -2.256 -0.787 513 2HD2 LEU 62 3HD2 LEU 62 13.730 -1.286 -0.668 514 3HD2 LEU 62 2HD2 LEU 62 13.618 -3.032 -0.890 515 H THR 63 H THR 63 12.427 -2.638 -5.450 516 HA THR 63 HA THR 63 12.019 -5.501 -6.159 517 HB THR 63 HB THR 63 10.555 -4.392 -4.406 518 HG1 THR 63 HG1 THR 63 9.962 -6.223 -5.786 519 1HG2 THR 63 3HG2 THR 63 10.254 -2.504 -6.564 520 2HG2 THR 63 2HG2 THR 63 8.681 -3.156 -6.103 521 3HG2 THR 63 1HG2 THR 63 9.700 -2.378 -4.895 522 H GLU 64 H GLU 64 9.481 -4.415 -7.605 523 HA GLU 64 HA GLU 64 10.602 -3.017 -9.914 524 1HB GLU 64 2HB GLU 64 10.090 -4.816 -11.523 525 2HB GLU 64 1HB GLU 64 11.303 -5.352 -10.359 526 1HG GLU 64 2HG GLU 64 8.989 -6.044 -9.073 527 2HG GLU 64 1HG GLU 64 8.535 -6.295 -10.759 528 H ASN 65 H ASN 65 8.863 -1.595 -9.159 529 HA ASN 65 HA ASN 65 6.721 -0.700 -9.609 530 1HB ASN 65 2HB ASN 65 6.931 -2.395 -11.637 531 2HB ASN 65 1HB ASN 65 5.764 -3.322 -10.693 532 1HD2 ASN 65 2HD2 ASN 65 3.131 -1.337 -11.905 533 2HD2 ASN 65 1HD2 ASN 65 3.696 -2.876 -11.466 534 H GLY 66 H GLY 66 7.568 -3.166 -7.600 535 1HA GLY 66 2HA GLY 66 5.132 -4.236 -6.632 536 2HA GLY 66 1HA GLY 66 6.588 -4.027 -5.651 537 H ALA 67 H ALA 67 6.970 -1.557 -5.107 538 HA ALA 67 HA ALA 67 4.753 -0.707 -3.497 539 1HB ALA 67 3HB ALA 67 7.377 0.515 -4.302 540 2HB ALA 67 2HB ALA 67 6.176 1.503 -3.470 541 3HB ALA 67 1HB ALA 67 6.814 0.052 -2.696 542 H GLU 68 H GLU 68 5.986 0.376 -6.646 543 HA GLU 68 HA GLU 68 4.278 2.598 -6.972 544 1HB GLU 68 2HB GLU 68 6.162 2.250 -8.460 545 2HB GLU 68 1HB GLU 68 5.465 0.736 -9.040 546 1HG GLU 68 2HG GLU 68 4.954 2.420 -10.683 547 2HG GLU 68 1HG GLU 68 3.458 2.069 -9.816 548 H SER 69 H SER 69 3.587 -0.798 -7.131 549 HA SER 69 HA SER 69 1.128 -0.384 -8.687 550 1HB SER 69 2HB SER 69 1.040 -2.671 -8.876 551 2HB SER 69 1HB SER 69 2.742 -2.541 -8.448 552 HG SER 69 HG SER 69 0.528 -3.107 -6.772 553 H VAL 70 H VAL 70 1.841 -1.498 -5.325 554 HA VAL 70 HA VAL 70 -0.821 -1.512 -4.442 555 HB VAL 70 HB VAL 70 1.659 -0.624 -2.927 556 1HG1 VAL 70 3HG1 VAL 70 -1.152 -0.412 -2.274 557 2HG1 VAL 70 2HG1 VAL 70 -0.366 -1.526 -1.163 558 3HG1 VAL 70 1HG1 VAL 70 0.237 0.127 -1.326 559 1HG2 VAL 70 3HG2 VAL 70 1.435 -3.050 -3.764 560 2HG2 VAL 70 2HG2 VAL 70 1.693 -2.845 -2.032 561 3HG2 VAL 70 1HG2 VAL 70 0.079 -3.196 -2.647 562 H LEU 71 H LEU 71 1.441 1.034 -5.107 563 HA LEU 71 HA LEU 71 -0.178 3.077 -3.907 564 1HB LEU 71 2HB LEU 71 2.350 3.181 -4.360 565 2HB LEU 71 1HB LEU 71 1.908 3.561 -6.025 566 HG LEU 71 HG LEU 71 0.767 5.546 -5.373 567 1HD1 LEU 71 2HD1 LEU 71 0.773 4.229 -2.705 568 2HD1 LEU 71 1HD1 LEU 71 0.860 5.994 -2.725 569 3HD1 LEU 71 3HD1 LEU 71 -0.500 5.168 -3.497 570 1HD2 LEU 71 3HD2 LEU 71 3.318 5.533 -5.279 571 2HD2 LEU 71 2HD2 LEU 71 2.525 6.838 -4.396 572 3HD2 LEU 71 1HD2 LEU 71 3.156 5.441 -3.526 573 H GLN 72 H GLN 72 0.313 1.942 -7.270 574 HA GLN 72 HA GLN 72 -1.322 3.879 -8.517 575 1HB GLN 72 2HB GLN 72 -0.679 1.013 -9.093 576 2HB GLN 72 1HB GLN 72 -2.004 1.761 -9.986 577 1HG GLN 72 2HG GLN 72 -0.405 3.663 -10.535 578 2HG GLN 72 1HG GLN 72 0.886 2.653 -9.884 579 1HE2 GLN 72 2HE2 GLN 72 0.666 0.249 -12.574 580 2HE2 GLN 72 1HE2 GLN 72 1.003 0.364 -10.915 581 H VAL 73 H VAL 73 -2.092 1.172 -6.511 582 HA VAL 73 HA VAL 73 -4.974 1.298 -7.027 583 HB VAL 73 HB VAL 73 -3.334 -0.243 -5.007 584 1HG1 VAL 73 3HG1 VAL 73 -5.866 0.367 -4.521 585 2HG1 VAL 73 2HG1 VAL 73 -6.164 -0.879 -5.726 586 3HG1 VAL 73 1HG1 VAL 73 -5.282 -1.272 -4.260 587 1HG2 VAL 73 2HG2 VAL 73 -3.357 -0.594 -7.637 588 2HG2 VAL 73 1HG2 VAL 73 -3.412 -1.984 -6.548 589 3HG2 VAL 73 3HG2 VAL 73 -4.896 -1.385 -7.298 590 H PHE 74 H PHE 74 -2.882 2.113 -4.233 591 HA PHE 74 HA PHE 74 -4.874 2.949 -2.488 592 1HB PHE 74 2HB PHE 74 -1.987 3.482 -2.886 593 2HB PHE 74 1HB PHE 74 -2.864 4.691 -1.960 594 HD1 PHE 74 HD2 PHE 74 -4.187 3.983 0.065 595 HD2 PHE 74 HD1 PHE 74 -1.511 1.335 -1.968 596 HE1 PHE 74 HE2 PHE 74 -4.182 2.461 2.018 597 HE2 PHE 74 HE1 PHE 74 -1.511 -0.182 -0.010 598 HZ PHE 74 HZ PHE 74 -2.857 0.398 1.980 599 H ARG 75 H ARG 75 -2.972 4.833 -4.801 600 HA ARG 75 HA ARG 75 -4.473 7.247 -4.594 601 1HB ARG 75 2HB ARG 75 -2.577 6.074 -6.595 602 2HB ARG 75 1HB ARG 75 -3.553 7.460 -7.087 603 1HG ARG 75 2HG ARG 75 -2.766 8.653 -5.013 604 2HG ARG 75 1HG ARG 75 -1.658 7.310 -4.729 605 1HD ARG 75 2HD ARG 75 -0.261 7.932 -6.422 606 2HD ARG 75 1HD ARG 75 -1.588 8.453 -7.460 607 HE ARG 75 HE ARG 75 -0.080 10.152 -5.655 608 1HH1 ARG 75 2HH1 ARG 75 -2.676 10.643 -4.489 609 2HH1 ARG 75 1HH1 ARG 75 -3.400 11.810 -5.543 610 1HH2 ARG 75 1HH2 ARG 75 -1.211 11.198 -8.161 611 2HH2 ARG 75 2HH2 ARG 75 -2.571 12.126 -7.622 612 H GLU 76 H GLU 76 -4.816 4.373 -6.752 613 HA GLU 76 HA GLU 76 -6.906 5.447 -8.374 614 1HB GLU 76 2HB GLU 76 -6.054 2.693 -7.577 615 2HB GLU 76 1HB GLU 76 -7.627 2.887 -8.347 616 1HG GLU 76 2HG GLU 76 -5.092 4.063 -9.499 617 2HG GLU 76 1HG GLU 76 -5.682 2.458 -9.929 618 H ALA 77 H ALA 77 -6.882 4.350 -5.091 619 HA ALA 77 HA ALA 77 -9.783 4.033 -4.889 620 1HB ALA 77 3HB ALA 77 -7.784 2.971 -3.449 621 2HB ALA 77 2HB ALA 77 -8.039 4.426 -2.485 622 3HB ALA 77 1HB ALA 77 -9.363 3.287 -2.728 623 H LYS 78 H LYS 78 -7.384 6.367 -3.587 624 HA LYS 78 HA LYS 78 -9.326 8.192 -2.584 625 1HB LYS 78 2HB LYS 78 -7.498 9.628 -2.239 626 2HB LYS 78 1HB LYS 78 -6.770 8.031 -2.153 627 1HG LYS 78 2HG LYS 78 -5.335 8.724 -3.749 628 2HG LYS 78 1HG LYS 78 -6.696 8.671 -4.870 629 1HD LYS 78 2HD LYS 78 -5.766 10.878 -5.032 630 2HD LYS 78 1HD LYS 78 -7.263 11.031 -4.112 631 1HE LYS 78 2HE LYS 78 -5.615 10.604 -2.059 632 2HE LYS 78 1HE LYS 78 -4.433 11.271 -3.183 633 1HZ LYS 78 3HZ LYS 78 -7.012 12.565 -2.488 634 2HZ LYS 78 2HZ LYS 78 -5.514 12.970 -1.798 635 3HZ LYS 78 1HZ LYS 78 -5.783 13.217 -3.457 636 H ALA 79 H ALA 79 -8.439 7.362 -5.758 637 HA ALA 79 HA ALA 79 -9.191 9.970 -6.936 638 1HB ALA 79 1HB ALA 79 -7.483 7.915 -7.729 639 2HB ALA 79 3HB ALA 79 -8.894 7.712 -8.772 640 3HB ALA 79 2HB ALA 79 -8.025 9.252 -8.744 641 H GLU 80 H GLU 80 -10.059 6.658 -7.813 642 HA GLU 80 HA GLU 80 -12.445 7.136 -9.100 643 1HB GLU 80 2HB GLU 80 -11.971 4.817 -7.212 644 2HB GLU 80 1HB GLU 80 -13.030 4.854 -8.619 645 1HG GLU 80 2HG GLU 80 -10.354 5.662 -9.357 646 2HG GLU 80 1HG GLU 80 -10.336 4.076 -8.582 647 H GLY 81 H GLY 81 -12.287 6.219 -5.613 648 1HA GLY 81 2HA GLY 81 -14.334 8.223 -4.997 649 2HA GLY 81 1HA GLY 81 -14.937 6.566 -4.925 650 H ALA 82 H ALA 82 -12.457 5.415 -3.946 651 HA ALA 82 HA ALA 82 -12.796 5.339 -1.233 652 1HB ALA 82 1HB ALA 82 -10.835 4.454 -2.966 653 2HB ALA 82 3HB ALA 82 -9.946 5.538 -1.893 654 3HB ALA 82 2HB ALA 82 -10.853 4.180 -1.223 655 H ASP 83 H ASP 83 -11.932 6.465 0.585 656 HA ASP 83 HA ASP 83 -11.201 9.304 0.001 657 1HB ASP 83 2HB ASP 83 -12.746 7.960 2.177 658 2HB ASP 83 1HB ASP 83 -11.773 9.360 2.626 659 H ILE 84 H ILE 84 -9.054 7.953 -0.411 660 HA ILE 84 HA ILE 84 -7.610 7.645 2.182 661 HB ILE 84 HB ILE 84 -7.042 6.509 -0.562 662 1HG1 ILE 84 2HG1 ILE 84 -7.419 4.813 1.819 663 2HG1 ILE 84 1HG1 ILE 84 -8.856 5.674 1.268 664 1HG2 ILE 84 3HG2 ILE 84 -5.060 7.157 1.053 665 2HG2 ILE 84 2HG2 ILE 84 -5.602 5.748 1.964 666 3HG2 ILE 84 1HG2 ILE 84 -5.076 5.569 0.289 667 1HD1 ILE 84 2HD1 ILE 84 -7.199 4.388 -0.830 668 2HD1 ILE 84 1HD1 ILE 84 -8.098 3.309 0.232 669 3HD1 ILE 84 3HD1 ILE 84 -8.951 4.530 -0.706 670 H THR 85 H THR 85 -6.296 9.332 2.652 671 HA THR 85 HA THR 85 -5.381 11.176 0.574 672 HB THR 85 HB THR 85 -4.822 10.968 3.551 673 HG1 THR 85 HG1 THR 85 -5.933 13.147 3.204 674 1HG2 THR 85 3HG2 THR 85 -3.360 12.357 1.476 675 2HG2 THR 85 2HG2 THR 85 -4.088 13.511 2.595 676 3HG2 THR 85 1HG2 THR 85 -3.011 12.254 3.202 677 H ILE 86 H ILE 86 -3.896 10.206 -0.769 678 HA ILE 86 HA ILE 86 -1.906 8.354 0.319 679 HB ILE 86 HB ILE 86 -3.015 8.991 -2.288 680 1HG1 ILE 86 2HG1 ILE 86 -2.345 6.710 -2.756 681 2HG1 ILE 86 1HG1 ILE 86 -1.227 6.721 -1.397 682 1HG2 ILE 86 2HG2 ILE 86 -0.751 10.116 -2.535 683 2HG2 ILE 86 1HG2 ILE 86 -0.019 8.534 -2.262 684 3HG2 ILE 86 3HG2 ILE 86 -1.050 8.797 -3.668 685 1HD1 ILE 86 3HD1 ILE 86 -3.558 7.420 -0.150 686 2HD1 ILE 86 2HD1 ILE 86 -4.158 6.357 -1.423 687 3HD1 ILE 86 1HD1 ILE 86 -2.964 5.760 -0.266 688 H ILE 87 H ILE 87 0.088 8.940 0.999 689 HA ILE 87 HA ILE 87 1.044 11.672 0.221 690 HB ILE 87 HB ILE 87 1.337 10.148 2.815 691 1HG1 ILE 87 2HG1 ILE 87 0.464 13.002 2.338 692 2HG1 ILE 87 1HG1 ILE 87 -0.676 11.658 2.273 693 1HG2 ILE 87 3HG2 ILE 87 3.085 12.201 1.584 694 2HG2 ILE 87 2HG2 ILE 87 2.622 12.505 3.259 695 3HG2 ILE 87 1HG2 ILE 87 3.453 11.009 2.832 696 1HD1 ILE 87 1HD1 ILE 87 0.930 11.368 4.628 697 2HD1 ILE 87 3HD1 ILE 87 0.295 13.013 4.583 698 3HD1 ILE 87 2HD1 ILE 87 -0.809 11.639 4.516 699 H LEU 88 H LEU 88 3.246 11.873 -0.338 700 HA LEU 88 HA LEU 88 4.931 9.442 -0.296 701 1HB LEU 88 2HB LEU 88 3.901 10.792 -2.781 702 2HB LEU 88 1HB LEU 88 5.472 9.987 -2.795 703 HG LEU 88 HG LEU 88 3.654 8.240 -1.485 704 1HD1 LEU 88 3HD1 LEU 88 1.949 9.701 -2.733 705 2HD1 LEU 88 2HD1 LEU 88 2.625 9.028 -4.216 706 3HD1 LEU 88 1HD1 LEU 88 1.867 7.965 -3.031 707 1HD2 LEU 88 3HD2 LEU 88 5.669 8.184 -3.424 708 2HD2 LEU 88 2HD2 LEU 88 4.796 6.792 -2.785 709 3HD2 LEU 88 1HD2 LEU 88 4.240 7.579 -4.261 710 H SER 89 HN SER 89 5.593 11.382 1.314 711 HA SER 89 HA SER 89 8.116 12.339 0.437 712 1HB SER 89 2HB SER 89 5.966 13.891 -0.564 713 2HB SER 89 1HB SER 89 6.705 14.837 0.730 714 HG SER 89 HG SER 89 7.938 15.289 -0.995 No H/Q in entry = 714 Start of MODEL 26 1 1H LYS 1 3H LYS 1 -8.370 5.261 8.972 2 2H LYS 1 2H LYS 1 -8.894 3.831 8.219 3 3H LYS 1 1H LYS 1 -9.234 4.104 9.861 4 HA LYS 1 HA LYS 1 -7.125 3.625 10.550 5 1HB LYS 1 2HB LYS 1 -7.332 2.063 7.959 6 2HB LYS 1 1HB LYS 1 -6.411 1.604 9.392 7 1HG LYS 1 2HG LYS 1 -9.154 2.177 10.110 8 2HG LYS 1 1HG LYS 1 -9.099 0.966 8.829 9 1HD LYS 1 2HD LYS 1 -7.655 -0.456 10.121 10 2HD LYS 1 1HD LYS 1 -7.400 0.803 11.329 11 1HE LYS 1 2HE LYS 1 -9.922 -0.767 10.783 12 2HE LYS 1 1HE LYS 1 -9.016 -0.652 12.292 13 1HZ LYS 1 1HZ LYS 1 -9.549 1.803 12.198 14 2HZ LYS 1 3HZ LYS 1 -10.681 1.421 10.995 15 3HZ LYS 1 2HZ LYS 1 -10.844 0.761 12.553 16 H LYS 2 H LYS 2 -4.897 4.042 10.359 17 HA LYS 2 HA LYS 2 -4.153 5.553 7.898 18 1HB LYS 2 2HB LYS 2 -2.841 6.976 9.175 19 2HB LYS 2 1HB LYS 2 -4.122 6.601 10.323 20 1HG LYS 2 2HG LYS 2 -2.674 4.768 11.248 21 2HG LYS 2 1HG LYS 2 -1.377 5.320 10.187 22 1HD LYS 2 2HD LYS 2 -2.752 7.261 12.031 23 2HD LYS 2 1HD LYS 2 -1.457 6.226 12.634 24 1HE LYS 2 2HE LYS 2 0.117 7.125 11.076 25 2HE LYS 2 1HE LYS 2 -1.153 7.933 10.157 26 1HZ LYS 2 3HZ LYS 2 -1.627 9.192 12.275 27 2HZ LYS 2 2HZ LYS 2 -0.148 8.595 12.860 28 3HZ LYS 2 1HZ LYS 2 -0.182 9.585 11.479 29 H ALA 3 H ALA 3 -2.989 4.323 6.538 30 HA ALA 3 HA ALA 3 -1.294 2.145 7.605 31 1HB ALA 3 2HB ALA 3 -2.632 2.735 5.066 32 2HB ALA 3 1HB ALA 3 -0.961 2.213 4.843 33 3HB ALA 3 3HB ALA 3 -2.098 1.184 5.716 34 H VAL 4 H VAL 4 0.985 2.099 7.203 35 HA VAL 4 HA VAL 4 2.148 4.624 6.137 36 HB VAL 4 HB VAL 4 2.928 3.270 8.737 37 1HG1 VAL 4 2HG1 VAL 4 4.371 5.039 6.908 38 2HG1 VAL 4 1HG1 VAL 4 4.244 5.711 8.534 39 3HG1 VAL 4 3HG1 VAL 4 4.974 4.124 8.290 40 1HG2 VAL 4 2HG2 VAL 4 0.909 5.081 8.273 41 2HG2 VAL 4 1HG2 VAL 4 1.756 4.898 9.809 42 3HG2 VAL 4 3HG2 VAL 4 2.263 6.141 8.665 43 H ILE 5 H ILE 5 3.768 4.240 4.743 44 HA ILE 5 HA ILE 5 4.784 1.452 4.508 45 HB ILE 5 HB ILE 5 5.224 3.732 2.575 46 1HG1 ILE 5 2HG1 ILE 5 2.726 3.089 3.263 47 2HG1 ILE 5 1HG1 ILE 5 3.149 3.425 1.597 48 1HG2 ILE 5 2HG2 ILE 5 5.775 0.847 2.655 49 2HG2 ILE 5 1HG2 ILE 5 4.998 1.376 1.164 50 3HG2 ILE 5 3HG2 ILE 5 6.517 2.111 1.675 51 1HD1 ILE 5 1HD1 ILE 5 3.549 0.618 2.386 52 2HD1 ILE 5 3HD1 ILE 5 1.872 1.162 2.448 53 3HD1 ILE 5 2HD1 ILE 5 2.782 1.290 0.944 54 H ASN 6 H ASN 6 6.683 1.108 5.536 55 HA ASN 6 HA ASN 6 8.595 3.394 5.727 56 1HB ASN 6 2HB ASN 6 8.873 0.995 7.479 57 2HB ASN 6 1HB ASN 6 9.225 2.684 7.833 58 1HD2 ASN 6 2HD2 ASN 6 6.234 2.859 9.650 59 2HD2 ASN 6 1HD2 ASN 6 7.907 3.132 9.594 60 H GLY 7 H GLY 7 9.786 3.025 3.845 61 1HA GLY 7 2HA GLY 7 10.612 0.401 2.995 62 2HA GLY 7 1HA GLY 7 11.276 1.929 2.400 63 H GLU 8 H GLU 8 11.606 2.377 5.548 64 HA GLU 8 HA GLU 8 14.417 1.739 5.539 65 1HB GLU 8 2HB GLU 8 13.290 3.648 6.813 66 2HB GLU 8 1HB GLU 8 12.765 2.428 7.973 67 1HG GLU 8 2HG GLU 8 14.777 3.112 8.925 68 2HG GLU 8 1HG GLU 8 15.310 1.740 7.953 69 H GLN 9 H GLN 9 11.612 -0.018 6.267 70 HA GLN 9 HA GLN 9 13.242 -2.086 7.675 71 1HB GLN 9 2HB GLN 9 11.410 -0.962 9.049 72 2HB GLN 9 1HB GLN 9 10.255 -1.725 7.956 73 1HG GLN 9 2HG GLN 9 11.820 -3.861 8.576 74 2HG GLN 9 1HG GLN 9 11.933 -2.939 10.075 75 1HE2 GLN 9 2HE2 GLN 9 8.753 -4.003 11.113 76 2HE2 GLN 9 1HE2 GLN 9 10.317 -3.495 11.531 77 H ILE 10 H ILE 10 11.147 -1.331 5.066 78 HA ILE 10 HA ILE 10 10.311 -4.021 4.430 79 HB ILE 10 HB ILE 10 10.561 -1.570 2.661 80 1HG1 ILE 10 2HG1 ILE 10 9.000 -1.402 4.629 81 2HG1 ILE 10 1HG1 ILE 10 8.182 -1.292 3.071 82 1HG2 ILE 10 2HG2 ILE 10 9.444 -4.329 2.226 83 2HG2 ILE 10 1HG2 ILE 10 8.744 -2.948 1.379 84 3HG2 ILE 10 3HG2 ILE 10 10.446 -3.354 1.149 85 1HD1 ILE 10 2HD1 ILE 10 7.875 -3.857 3.293 86 2HD1 ILE 10 1HD1 ILE 10 8.260 -3.610 4.995 87 3HD1 ILE 10 3HD1 ILE 10 6.854 -2.818 4.285 88 H ARG 11 H ARG 11 11.941 -5.494 4.177 89 HA ARG 11 HA ARG 11 14.504 -4.866 2.969 90 1HB ARG 11 2HB ARG 11 13.600 -7.688 2.850 91 2HB ARG 11 1HB ARG 11 15.091 -7.012 3.512 92 1HG ARG 11 2HG ARG 11 13.653 -6.119 5.433 93 2HG ARG 11 1HG ARG 11 12.378 -7.176 4.820 94 1HD ARG 11 2HD ARG 11 13.343 -8.983 5.759 95 2HD ARG 11 1HD ARG 11 14.886 -8.616 4.989 96 HE ARG 11 HE ARG 11 14.052 -7.332 7.561 97 1HH1 ARG 11 1HH2 ARG 11 16.557 -7.256 5.443 98 2HH1 ARG 11 2HH2 ARG 11 17.780 -7.806 6.540 99 1HH2 ARG 11 2HH1 ARG 11 15.526 -8.736 9.005 100 2HH2 ARG 11 1HH1 ARG 11 17.196 -8.644 8.557 101 H SER 12 H SER 12 11.540 -6.452 1.882 102 HA SER 12 HA SER 12 12.235 -5.746 -0.915 103 1HB SER 12 2HB SER 12 13.071 -7.927 -1.020 104 2HB SER 12 1HB SER 12 11.910 -8.534 0.157 105 HG SER 12 HG SER 12 11.262 -9.211 -1.862 106 H ILE 13 H ILE 13 10.269 -6.224 -2.365 107 HA ILE 13 HA ILE 13 7.985 -4.905 -1.457 108 HB ILE 13 HB ILE 13 8.348 -5.431 -3.828 109 1HG1 ILE 13 2HG1 ILE 13 6.044 -6.182 -4.378 110 2HG1 ILE 13 1HG1 ILE 13 5.819 -6.681 -2.702 111 1HG2 ILE 13 1HG2 ILE 13 8.400 -8.165 -2.730 112 2HG2 ILE 13 3HG2 ILE 13 7.454 -8.002 -4.210 113 3HG2 ILE 13 2HG2 ILE 13 9.152 -7.525 -4.193 114 1HD1 ILE 13 1HD1 ILE 13 6.777 -4.034 -2.577 115 2HD1 ILE 13 3HD1 ILE 13 5.567 -4.040 -3.860 116 3HD1 ILE 13 2HD1 ILE 13 5.137 -4.586 -2.239 117 H SER 14 H SER 14 8.993 -8.169 -0.819 118 HA SER 14 HA SER 14 6.519 -9.370 -0.140 119 1HB SER 14 2HB SER 14 8.125 -10.549 1.647 120 2HB SER 14 1HB SER 14 8.227 -10.918 -0.072 121 HG SER 14 HG SER 14 10.120 -9.975 1.460 122 H ASP 15 H ASP 15 8.786 -7.550 1.951 123 HA ASP 15 HA ASP 15 7.071 -7.634 4.254 124 1HB ASP 15 2HB ASP 15 9.605 -6.395 3.470 125 2HB ASP 15 1HB ASP 15 8.651 -5.383 4.547 126 H LEU 16 H LEU 16 7.074 -5.794 1.384 127 HA LEU 16 HA LEU 16 5.766 -3.409 2.328 128 1HB LEU 16 2HB LEU 16 6.906 -3.704 0.088 129 2HB LEU 16 1HB LEU 16 5.527 -4.674 -0.412 130 HG LEU 16 HG LEU 16 4.256 -2.839 -0.797 131 1HD1 LEU 16 1HD1 LEU 16 5.365 -1.675 1.779 132 2HD1 LEU 16 3HD1 LEU 16 4.143 -0.888 0.779 133 3HD1 LEU 16 2HD1 LEU 16 3.787 -2.431 1.558 134 1HD2 LEU 16 3HD2 LEU 16 6.514 -2.204 -1.704 135 2HD2 LEU 16 2HD2 LEU 16 5.481 -0.829 -1.317 136 3HD2 LEU 16 1HD2 LEU 16 6.784 -1.288 -0.221 137 H HIS 17 H HIS 17 4.471 -6.236 0.566 138 HA HIS 17 HA HIS 17 1.733 -5.592 0.939 139 1HB HIS 17 2HB HIS 17 3.099 -8.274 0.604 140 2HB HIS 17 1HB HIS 17 1.347 -8.051 0.547 141 HD1 HIS 17 HD1 HIS 17 0.479 -6.322 -1.352 142 HD2 HIS 17 HD2 HIS 17 4.387 -7.705 -1.797 143 HE1 HIS 17 HE1 HIS 17 1.151 -5.814 -3.741 144 H GLN 18 H GLN 18 4.078 -6.805 3.121 145 HA GLN 18 HA GLN 18 2.140 -7.902 5.020 146 1HB GLN 18 2HB GLN 18 5.094 -7.274 5.279 147 2HB GLN 18 1HB GLN 18 4.134 -8.050 6.538 148 1HG GLN 18 2HG GLN 18 3.479 -9.724 4.624 149 2HG GLN 18 1HG GLN 18 4.946 -9.122 3.853 150 1HE2 GLN 18 2HE2 GLN 18 6.863 -10.225 6.903 151 2HE2 GLN 18 1HE2 GLN 18 6.536 -8.709 6.215 152 H THR 19 H THR 19 3.865 -4.947 4.469 153 HA THR 19 HA THR 19 3.193 -3.692 6.982 154 HB THR 19 HB THR 19 4.230 -2.697 4.334 155 HG1 THR 19 HG1 THR 19 5.180 -3.008 6.962 156 1HG2 THR 19 2HG2 THR 19 2.786 -1.151 6.326 157 2HG2 THR 19 1HG2 THR 19 4.450 -0.586 6.160 158 3HG2 THR 19 3HG2 THR 19 3.396 -0.649 4.748 159 H LEU 20 H LEU 20 1.723 -3.853 3.827 160 HA LEU 20 HA LEU 20 -0.411 -1.954 4.542 161 1HB LEU 20 2HB LEU 20 -0.754 -3.867 2.270 162 2HB LEU 20 1HB LEU 20 -1.184 -2.159 2.367 163 HG LEU 20 HG LEU 20 1.657 -3.169 2.235 164 1HD1 LEU 20 3HD1 LEU 20 -0.264 -2.310 0.090 165 2HD1 LEU 20 2HD1 LEU 20 1.479 -2.158 -0.128 166 3HD1 LEU 20 1HD1 LEU 20 0.758 -3.746 0.138 167 1HD2 LEU 20 3HD2 LEU 20 0.805 -0.795 3.168 168 2HD2 LEU 20 2HD2 LEU 20 2.299 -0.958 2.242 169 3HD2 LEU 20 1HD2 LEU 20 0.819 -0.427 1.442 170 H LYS 21 H LYS 21 0.160 -5.388 4.357 171 HA LYS 21 HA LYS 21 -2.561 -6.197 4.947 172 1HB LYS 21 2HB LYS 21 -1.022 -7.770 3.899 173 2HB LYS 21 1HB LYS 21 0.095 -7.630 5.258 174 1HG LYS 21 2HG LYS 21 -1.134 -9.026 6.571 175 2HG LYS 21 1HG LYS 21 -2.668 -8.366 6.002 176 1HD LYS 21 2HD LYS 21 -2.620 -9.695 4.021 177 2HD LYS 21 1HD LYS 21 -0.931 -10.136 4.273 178 1HE LYS 21 2HE LYS 21 -3.283 -10.968 5.996 179 2HE LYS 21 1HE LYS 21 -2.347 -12.011 4.925 180 1HZ LYS 21 1HZ LYS 21 -0.448 -10.870 6.473 181 2HZ LYS 21 3HZ LYS 21 -1.727 -11.068 7.571 182 3HZ LYS 21 2HZ LYS 21 -1.118 -12.411 6.725 183 H LYS 22 H LYS 22 0.114 -5.010 6.777 184 HA LYS 22 HA LYS 22 -0.945 -6.018 9.340 185 1HB LYS 22 2HB LYS 22 1.369 -6.020 9.458 186 2HB LYS 22 1HB LYS 22 1.528 -4.603 8.424 187 1HG LYS 22 2HG LYS 22 0.704 -3.170 10.260 188 2HG LYS 22 1HG LYS 22 0.563 -4.589 11.301 189 1HD LYS 22 2HD LYS 22 3.076 -4.975 10.722 190 2HD LYS 22 1HD LYS 22 3.055 -3.280 10.231 191 1HE LYS 22 2HE LYS 22 3.730 -3.347 12.545 192 2HE LYS 22 1HE LYS 22 2.080 -2.728 12.496 193 1HZ LYS 22 2HZ LYS 22 2.751 -5.583 12.932 194 2HZ LYS 22 1HZ LYS 22 2.477 -4.479 14.193 195 3HZ LYS 22 3HZ LYS 22 1.231 -4.844 13.102 196 H GLU 23 H GLU 23 -0.691 -2.946 7.555 197 HA GLU 23 HA GLU 23 -1.846 -1.418 9.755 198 1HB GLU 23 2HB GLU 23 -1.467 -0.665 6.848 199 2HB GLU 23 1HB GLU 23 -1.862 0.450 8.157 200 1HG GLU 23 2HG GLU 23 0.560 -1.301 8.421 201 2HG GLU 23 1HG GLU 23 0.648 0.138 7.403 202 H LEU 24 H LEU 24 -2.965 -2.307 6.537 203 HA LEU 24 HA LEU 24 -5.689 -1.471 7.046 204 1HB LEU 24 2HB LEU 24 -4.768 -3.380 4.889 205 2HB LEU 24 1HB LEU 24 -6.158 -2.292 4.857 206 HG LEU 24 HG LEU 24 -3.365 -1.211 5.190 207 1HD1 LEU 24 1HD1 LEU 24 -4.558 -2.422 2.797 208 2HD1 LEU 24 3HD1 LEU 24 -3.978 -0.774 2.550 209 3HD1 LEU 24 2HD1 LEU 24 -2.875 -2.019 3.143 210 1HD2 LEU 24 3HD2 LEU 24 -6.093 -0.189 4.671 211 2HD2 LEU 24 2HD2 LEU 24 -4.743 0.566 5.518 212 3HD2 LEU 24 1HD2 LEU 24 -4.801 0.587 3.754 213 H ALA 25 H ALA 25 -3.867 -4.408 7.506 214 HA ALA 25 HA ALA 25 -4.491 -6.338 8.707 215 1HB ALA 25 2HB ALA 25 -6.423 -4.402 9.460 216 2HB ALA 25 1HB ALA 25 -7.309 -5.877 9.072 217 3HB ALA 25 3HB ALA 25 -6.032 -5.908 10.289 218 H LEU 26 H LEU 26 -4.352 -6.585 6.047 219 HA LEU 26 HA LEU 26 -6.821 -7.419 4.786 220 1HB LEU 26 2HB LEU 26 -3.994 -8.188 3.994 221 2HB LEU 26 1HB LEU 26 -5.413 -8.107 2.952 222 HG LEU 26 HG LEU 26 -4.274 -5.715 4.411 223 1HD1 LEU 26 1HD1 LEU 26 -3.051 -6.977 2.325 224 2HD1 LEU 26 3HD1 LEU 26 -4.127 -5.877 1.463 225 3HD1 LEU 26 2HD1 LEU 26 -2.954 -5.240 2.617 226 1HD2 LEU 26 1HD2 LEU 26 -6.785 -6.172 3.282 227 2HD2 LEU 26 3HD2 LEU 26 -6.082 -4.595 3.643 228 3HD2 LEU 26 2HD2 LEU 26 -5.909 -5.290 2.031 229 HA PRO 27 HA PRO 27 -7.105 -11.558 6.164 230 1HB PRO 27 2HB PRO 27 -7.811 -12.908 3.874 231 2HB PRO 27 1HB PRO 27 -8.910 -11.846 4.775 232 1HG PRO 27 2HG PRO 27 -7.503 -11.339 2.194 233 2HG PRO 27 1HG PRO 27 -9.027 -10.662 2.793 234 1HD PRO 27 2HD PRO 27 -6.530 -9.366 2.776 235 2HD PRO 27 1HD PRO 27 -7.962 -8.837 3.684 236 H GLU 28 H GLU 28 -6.463 -13.967 5.397 237 HA GLU 28 HA GLU 28 -3.558 -13.968 5.226 238 1HB GLU 28 2HB GLU 28 -4.705 -15.625 6.608 239 2HB GLU 28 1HB GLU 28 -5.574 -16.233 5.197 240 1HG GLU 28 2HG GLU 28 -2.889 -16.291 4.426 241 2HG GLU 28 1HG GLU 28 -2.873 -16.849 6.100 242 H TYR 29 H TYR 29 -6.216 -14.862 3.034 243 HA TYR 29 HA TYR 29 -4.401 -15.858 0.993 244 1HB TYR 29 2HB TYR 29 -6.506 -15.689 -0.460 245 2HB TYR 29 1HB TYR 29 -6.586 -16.774 0.931 246 HD1 TYR 29 HD1 TYR 29 -7.121 -13.124 0.179 247 HD2 TYR 29 HD2 TYR 29 -8.478 -16.634 2.258 248 HE1 TYR 29 HE1 TYR 29 -9.076 -11.863 1.045 249 HE2 TYR 29 HE2 TYR 29 -10.426 -15.369 3.128 250 HH TYR 29 HH TYR 29 -11.743 -13.128 2.151 251 H TYR 30 H TYR 30 -4.803 -12.808 2.097 252 HA TYR 30 HA TYR 30 -5.301 -10.988 0.141 253 1HB TYR 30 2HB TYR 30 -4.360 -10.295 2.265 254 2HB TYR 30 1HB TYR 30 -2.835 -11.096 1.899 255 HD1 TYR 30 HD1 TYR 30 -4.855 -9.188 -0.561 256 HD2 TYR 30 HD2 TYR 30 -1.405 -9.182 2.001 257 HE1 TYR 30 HE1 TYR 30 -4.038 -7.106 -1.655 258 HE2 TYR 30 HE2 TYR 30 -0.588 -7.121 0.902 259 HH TYR 30 HH TYR 30 -1.108 -5.461 -0.506 260 H GLY 31 H GLY 31 -4.914 -11.200 -1.993 261 1HA GLY 31 2HA GLY 31 -3.063 -12.801 -3.301 262 2HA GLY 31 1HA GLY 31 -3.669 -11.293 -3.991 263 H GLU 32 H GLU 32 -2.485 -9.661 -1.819 264 HA GLU 32 HA GLU 32 -0.424 -8.669 -1.250 265 1HB GLU 32 2HB GLU 32 0.969 -10.958 -2.643 266 2HB GLU 32 1HB GLU 32 1.568 -9.951 -1.324 267 1HG GLU 32 2HG GLU 32 -0.590 -10.930 -0.094 268 2HG GLU 32 1HG GLU 32 -0.340 -12.246 -1.243 269 H ASN 33 H ASN 33 -1.823 -7.985 -3.626 270 HA ASN 33 HA ASN 33 0.383 -6.799 -5.142 271 1HB ASN 33 2HB ASN 33 -1.211 -7.804 -7.210 272 2HB ASN 33 1HB ASN 33 0.429 -8.297 -6.814 273 1HD2 ASN 33 2HD2 ASN 33 -2.659 -10.609 -5.374 274 2HD2 ASN 33 1HD2 ASN 33 -2.912 -8.945 -5.585 275 H LEU 34 H LEU 34 -1.121 -5.945 -7.366 276 HA LEU 34 HA LEU 34 -2.722 -3.870 -6.088 277 1HB LEU 34 2HB LEU 34 -3.148 -3.228 -8.550 278 2HB LEU 34 1HB LEU 34 -1.489 -3.124 -7.961 279 HG LEU 34 HG LEU 34 -2.217 -5.776 -9.012 280 1HD1 LEU 34 1HD1 LEU 34 -3.304 -3.750 -10.461 281 2HD1 LEU 34 3HD1 LEU 34 -1.688 -3.806 -11.163 282 3HD1 LEU 34 2HD1 LEU 34 -2.706 -5.245 -11.182 283 1HD2 LEU 34 2HD2 LEU 34 0.081 -4.418 -8.417 284 2HD2 LEU 34 1HD2 LEU 34 0.015 -5.814 -9.493 285 3HD2 LEU 34 3HD2 LEU 34 -0.004 -4.181 -10.163 286 H ASP 35 H ASP 35 -3.399 -6.997 -7.323 287 HA ASP 35 HA ASP 35 -6.158 -6.389 -8.078 288 1HB ASP 35 2HB ASP 35 -6.058 -9.114 -7.637 289 2HB ASP 35 1HB ASP 35 -5.845 -8.319 -9.191 290 H ALA 36 H ALA 36 -4.652 -8.280 -5.424 291 HA ALA 36 HA ALA 36 -7.172 -8.443 -3.988 292 1HB ALA 36 1HB ALA 36 -4.887 -9.888 -3.851 293 2HB ALA 36 3HB ALA 36 -4.635 -8.794 -2.492 294 3HB ALA 36 2HB ALA 36 -6.063 -9.830 -2.537 295 H LEU 37 H LEU 37 -4.425 -6.334 -4.021 296 HA LEU 37 HA LEU 37 -5.038 -4.913 -1.573 297 1HB LEU 37 2HB LEU 37 -2.806 -4.784 -2.557 298 2HB LEU 37 1HB LEU 37 -3.475 -4.081 -4.029 299 HG LEU 37 HG LEU 37 -4.437 -2.530 -1.858 300 1HD1 LEU 37 2HD1 LEU 37 -2.308 -3.692 -0.813 301 2HD1 LEU 37 1HD1 LEU 37 -1.434 -2.523 -1.803 302 3HD1 LEU 37 3HD1 LEU 37 -2.573 -1.964 -0.577 303 1HD2 LEU 37 2HD2 LEU 37 -3.499 -2.154 -4.398 304 2HD2 LEU 37 1HD2 LEU 37 -3.775 -0.841 -3.258 305 3HD2 LEU 37 3HD2 LEU 37 -2.156 -1.509 -3.453 306 H TRP 38 H TRP 38 -5.540 -4.153 -5.027 307 HA TRP 38 HA TRP 38 -7.135 -1.821 -4.604 308 1HB TRP 38 2HB TRP 38 -6.208 -2.412 -6.805 309 2HB TRP 38 1HB TRP 38 -7.134 -3.902 -6.800 310 HD1 TRP 38 HD1 TRP 38 -9.050 -3.791 -8.334 311 HE1 TRP 38 HE1 TRP 38 -10.763 -2.032 -9.111 312 HE3 TRP 38 HE3 TRP 38 -7.439 0.285 -5.680 313 HZ2 TRP 38 HZ2 TRP 38 -11.359 0.721 -8.690 314 HZ3 TRP 38 HZ3 TRP 38 -8.585 2.460 -5.915 315 HH2 TRP 38 HH2 TRP 38 -10.549 2.682 -7.408 316 H ASP 39 H ASP 39 -7.814 -5.230 -4.742 317 HA ASP 39 HA ASP 39 -10.674 -5.045 -4.577 318 1HB ASP 39 2HB ASP 39 -8.647 -7.148 -4.338 319 2HB ASP 39 1HB ASP 39 -10.025 -7.392 -3.261 320 H ALA 40 H ALA 40 -8.102 -4.867 -2.239 321 HA ALA 40 HA ALA 40 -9.923 -5.053 0.063 322 1HB ALA 40 1HB ALA 40 -7.433 -5.728 0.062 323 2HB ALA 40 3HB ALA 40 -7.090 -3.999 0.139 324 3HB ALA 40 2HB ALA 40 -8.005 -4.775 1.434 325 H LEU 41 H LEU 41 -7.626 -2.482 -0.838 326 HA LEU 41 HA LEU 41 -8.611 -0.330 0.498 327 1HB LEU 41 2HB LEU 41 -7.573 -0.545 -2.307 328 2HB LEU 41 1HB LEU 41 -8.102 1.015 -1.684 329 HG LEU 41 HG LEU 41 -6.249 -0.637 -0.016 330 1HD1 LEU 41 1HD1 LEU 41 -5.316 -0.605 -2.348 331 2HD1 LEU 41 3HD1 LEU 41 -5.331 1.157 -2.284 332 3HD1 LEU 41 2HD1 LEU 41 -4.302 0.241 -1.176 333 1HD2 LEU 41 3HD2 LEU 41 -7.368 1.641 0.571 334 2HD2 LEU 41 2HD2 LEU 41 -5.655 1.420 0.921 335 3HD2 LEU 41 1HD2 LEU 41 -6.153 2.322 -0.511 336 H THR 42 H THR 42 -9.895 -1.540 -2.529 337 HA THR 42 HA THR 42 -12.158 0.318 -2.483 338 HB THR 42 HB THR 42 -12.814 -0.658 -4.539 339 HG1 THR 42 HG1 THR 42 -12.735 -2.726 -4.764 340 1HG2 THR 42 3HG2 THR 42 -9.936 -0.302 -4.054 341 2HG2 THR 42 2HG2 THR 42 -10.307 -1.293 -5.462 342 3HG2 THR 42 1HG2 THR 42 -10.950 0.345 -5.344 343 H GLY 43 H GLY 43 -12.105 -1.228 -0.069 344 1HA GLY 43 2HA GLY 43 -14.533 -1.865 0.670 345 2HA GLY 43 1HA GLY 43 -14.304 -3.189 -0.475 346 H TRP 44 H TRP 44 -12.048 -1.775 1.958 347 HA TRP 44 HA TRP 44 -12.280 -3.994 3.772 348 1HB TRP 44 2HB TRP 44 -11.217 -5.239 1.924 349 2HB TRP 44 1HB TRP 44 -9.897 -4.068 1.898 350 HD1 TRP 44 HD1 TRP 44 -8.740 -3.742 4.508 351 HE1 TRP 44 HE1 TRP 44 -7.988 -5.642 6.081 352 HE3 TRP 44 HE3 TRP 44 -11.458 -7.610 2.583 353 HZ2 TRP 44 HZ2 TRP 44 -8.477 -8.436 6.471 354 HZ3 TRP 44 HZ3 TRP 44 -11.299 -9.877 3.571 355 HH2 TRP 44 HH2 TRP 44 -9.812 -10.295 5.512 356 H VAL 45 H VAL 45 -9.676 -2.018 2.399 357 HA VAL 45 HA VAL 45 -8.204 -1.446 4.665 358 HB VAL 45 HB VAL 45 -8.886 0.064 2.189 359 1HG1 VAL 45 1HG1 VAL 45 -7.326 1.205 4.504 360 2HG1 VAL 45 3HG1 VAL 45 -7.316 1.865 2.869 361 3HG1 VAL 45 2HG1 VAL 45 -8.814 1.842 3.798 362 1HG2 VAL 45 3HG2 VAL 45 -6.712 -1.564 3.244 363 2HG2 VAL 45 2HG2 VAL 45 -7.085 -1.147 1.573 364 3HG2 VAL 45 1HG2 VAL 45 -6.130 -0.044 2.566 365 H GLU 46 H GLU 46 -11.370 -0.293 3.866 366 HA GLU 46 HA GLU 46 -12.911 0.942 5.140 367 1HB GLU 46 2HB GLU 46 -11.618 -0.486 6.988 368 2HB GLU 46 1HB GLU 46 -11.017 1.108 7.444 369 1HG GLU 46 2HG GLU 46 -12.969 1.556 8.470 370 2HG GLU 46 1HG GLU 46 -13.824 1.331 6.943 371 H TYR 47 H TYR 47 -13.207 3.079 4.789 372 HA TYR 47 HA TYR 47 -10.815 4.867 4.952 373 1HB TYR 47 2HB TYR 47 -13.274 5.033 3.182 374 2HB TYR 47 1HB TYR 47 -11.957 6.206 3.188 375 HD1 TYR 47 HD2 TYR 47 -9.547 4.575 3.439 376 HD2 TYR 47 HD1 TYR 47 -13.130 3.827 1.180 377 HE1 TYR 47 HE2 TYR 47 -8.264 3.133 1.872 378 HE2 TYR 47 HE1 TYR 47 -11.839 2.397 -0.382 379 HH TYR 47 HH TYR 47 -9.485 2.163 -1.117 380 HA PRO 48 HA PRO 48 -11.071 7.303 4.247 381 1HB PRO 48 2HB PRO 48 -9.962 9.232 5.860 382 2HB PRO 48 1HB PRO 48 -11.438 9.465 4.902 383 1HG PRO 48 2HG PRO 48 -11.154 8.995 7.843 384 2HG PRO 48 1HG PRO 48 -12.397 9.903 6.966 385 1HD PRO 48 2HD PRO 48 -12.735 7.319 7.989 386 2HD PRO 48 1HD PRO 48 -13.736 8.048 6.711 387 H LEU 49 H LEU 49 -8.859 6.935 3.973 388 HA LEU 49 HA LEU 49 -7.484 5.602 6.274 389 1HB LEU 49 2HB LEU 49 -7.849 3.885 4.716 390 2HB LEU 49 1HB LEU 49 -7.629 4.961 3.340 391 HG LEU 49 HG LEU 49 -5.164 5.155 4.172 392 1HD1 LEU 49 1HD1 LEU 49 -6.314 3.194 6.006 393 2HD1 LEU 49 3HD1 LEU 49 -4.909 2.560 5.150 394 3HD1 LEU 49 2HD1 LEU 49 -4.770 4.038 6.101 395 1HD2 LEU 49 1HD2 LEU 49 -6.506 3.447 2.393 396 2HD2 LEU 49 3HD2 LEU 49 -4.792 3.858 2.389 397 3HD2 LEU 49 2HD2 LEU 49 -5.357 2.428 3.257 398 H VAL 50 H VAL 50 -5.118 5.858 6.282 399 HA VAL 50 HA VAL 50 -4.215 8.331 4.853 400 HB VAL 50 HB VAL 50 -4.008 7.518 7.712 401 1HG1 VAL 50 3HG1 VAL 50 -1.671 8.479 6.111 402 2HG1 VAL 50 2HG1 VAL 50 -1.913 9.180 7.712 403 3HG1 VAL 50 1HG1 VAL 50 -1.704 7.437 7.535 404 1HG2 VAL 50 2HG2 VAL 50 -5.278 9.496 6.590 405 2HG2 VAL 50 1HG2 VAL 50 -4.383 9.807 8.077 406 3HG2 VAL 50 3HG2 VAL 50 -3.691 10.261 6.520 407 H LEU 51 H LEU 51 -3.106 7.311 3.150 408 HA LEU 51 HA LEU 51 -1.359 5.009 3.716 409 1HB LEU 51 2HB LEU 51 -2.617 5.150 1.582 410 2HB LEU 51 1HB LEU 51 -1.735 6.629 1.182 411 HG LEU 51 HG LEU 51 0.391 5.157 1.563 412 1HD1 LEU 51 2HD1 LEU 51 -1.690 3.246 1.926 413 2HD1 LEU 51 1HD1 LEU 51 -0.810 2.834 0.447 414 3HD1 LEU 51 3HD1 LEU 51 0.053 2.984 1.982 415 1HD2 LEU 51 3HD2 LEU 51 -0.830 6.043 -0.624 416 2HD2 LEU 51 2HD2 LEU 51 0.543 4.948 -0.715 417 3HD2 LEU 51 1HD2 LEU 51 -1.098 4.315 -0.865 418 H GLU 52 H GLU 52 -0.221 6.665 5.318 419 HA GLU 52 HA GLU 52 1.495 8.682 4.227 420 1HB GLU 52 2HB GLU 52 1.021 8.708 6.585 421 2HB GLU 52 1HB GLU 52 1.637 7.066 6.783 422 1HG GLU 52 2HG GLU 52 3.886 7.759 6.346 423 2HG GLU 52 1HG GLU 52 3.359 9.345 5.783 424 H TRP 53 H TRP 53 2.494 7.596 2.346 425 HA TRP 53 HA TRP 53 4.175 5.264 2.771 426 1HB TRP 53 2HB TRP 53 3.100 6.219 0.540 427 2HB TRP 53 1HB TRP 53 4.627 7.104 0.451 428 HD1 TRP 53 HD1 TRP 53 6.863 5.362 1.009 429 HE1 TRP 53 HE1 TRP 53 7.286 3.052 -0.053 430 HE3 TRP 53 HE3 TRP 53 2.156 4.245 -0.587 431 HZ2 TRP 53 HZ2 TRP 53 5.813 1.005 -1.392 432 HZ3 TRP 53 HZ3 TRP 53 1.679 2.119 -1.749 433 HH2 TRP 53 HH2 TRP 53 3.509 0.486 -2.154 434 H ARG 54 H ARG 54 6.505 5.274 2.950 435 HA ARG 54 HA ARG 54 7.567 7.895 3.890 436 1HB ARG 54 2HB ARG 54 8.559 5.069 4.345 437 2HB ARG 54 1HB ARG 54 9.364 6.518 4.945 438 1HG ARG 54 2HG ARG 54 6.452 6.156 5.541 439 2HG ARG 54 1HG ARG 54 7.626 5.222 6.469 440 1HD ARG 54 2HD ARG 54 7.933 8.201 6.096 441 2HD ARG 54 1HD ARG 54 6.954 7.534 7.403 442 HE ARG 54 HE ARG 54 9.897 7.149 7.106 443 1HH1 ARG 54 1HH2 ARG 54 9.964 5.111 8.659 444 2HH1 ARG 54 2HH2 ARG 54 9.404 5.513 10.248 445 1HH2 ARG 54 2HH1 ARG 54 7.866 8.456 9.249 446 2HH2 ARG 54 1HH1 ARG 54 8.216 7.408 10.582 447 H GLN 55 H GLN 55 8.213 8.851 1.945 448 HA GLN 55 HA GLN 55 9.940 9.384 0.425 449 1HB GLN 55 2HB GLN 55 11.221 7.601 2.025 450 2HB GLN 55 1HB GLN 55 11.219 6.716 0.499 451 1HG GLN 55 2HG GLN 55 13.031 7.961 -0.043 452 2HG GLN 55 1HG GLN 55 11.891 9.287 -0.280 453 1HE2 GLN 55 2HE2 GLN 55 13.659 9.154 3.435 454 2HE2 GLN 55 1HE2 GLN 55 13.106 7.712 2.732 455 H PHE 56 H PHE 56 8.778 6.009 0.224 456 HA PHE 56 HA PHE 56 7.575 5.016 -1.558 457 1HB PHE 56 2HB PHE 56 6.930 7.434 -2.175 458 2HB PHE 56 1HB PHE 56 8.291 7.382 -3.295 459 HD1 PHE 56 HD2 PHE 56 5.928 4.645 -2.333 460 HD2 PHE 56 HD1 PHE 56 7.308 7.282 -5.432 461 HE1 PHE 56 HE2 PHE 56 4.542 3.434 -3.985 462 HE2 PHE 56 HE1 PHE 56 5.922 6.070 -7.081 463 HZ PHE 56 HZ PHE 56 4.535 4.144 -6.361 464 H GLU 57 H GLU 57 10.344 6.888 -2.882 465 HA GLU 57 HA GLU 57 11.242 5.081 -4.783 466 1HB GLU 57 2HB GLU 57 12.261 7.374 -3.724 467 2HB GLU 57 1HB GLU 57 13.392 6.189 -3.071 468 1HG GLU 57 2HG GLU 57 14.207 5.616 -5.145 469 2HG GLU 57 1HG GLU 57 12.669 5.927 -5.951 470 H GLN 58 H GLN 58 12.664 5.169 -1.492 471 HA GLN 58 HA GLN 58 13.981 2.708 -1.580 472 1HB GLN 58 2HB GLN 58 13.274 2.645 0.977 473 2HB GLN 58 1HB GLN 58 14.420 3.849 0.389 474 1HG GLN 58 2HG GLN 58 13.000 5.544 0.849 475 2HG GLN 58 1HG GLN 58 11.661 4.728 0.043 476 1HE2 GLN 58 2HE2 GLN 58 12.233 3.988 4.054 477 2HE2 GLN 58 1HE2 GLN 58 13.573 4.398 3.096 478 H SER 59 H SER 59 13.363 0.565 -1.318 479 HA SER 59 HA SER 59 11.913 -1.271 -0.938 480 1HB SER 59 2HB SER 59 9.977 -0.975 0.242 481 2HB SER 59 1HB SER 59 10.642 0.636 0.514 482 HG SER 59 HG SER 59 8.713 1.078 -0.334 483 H LYS 60 H LYS 60 10.697 1.440 -2.880 484 HA LYS 60 HA LYS 60 9.274 -0.329 -4.723 485 1HB LYS 60 2HB LYS 60 8.526 1.987 -4.178 486 2HB LYS 60 1HB LYS 60 9.967 2.599 -4.996 487 1HG LYS 60 2HG LYS 60 9.029 0.963 -6.927 488 2HG LYS 60 1HG LYS 60 7.504 1.392 -6.150 489 1HD LYS 60 2HD LYS 60 7.575 3.270 -7.411 490 2HD LYS 60 1HD LYS 60 8.821 3.821 -6.290 491 1HE LYS 60 2HE LYS 60 10.567 2.860 -7.722 492 2HE LYS 60 1HE LYS 60 9.339 2.243 -8.829 493 1HZ LYS 60 2HZ LYS 60 8.614 4.523 -9.221 494 2HZ LYS 60 1HZ LYS 60 9.830 5.101 -8.185 495 3HZ LYS 60 3HZ LYS 60 10.251 4.320 -9.631 496 H GLN 61 H GLN 61 12.497 0.956 -4.474 497 HA GLN 61 HA GLN 61 13.069 0.765 -7.332 498 1HB GLN 61 2HB GLN 61 14.408 1.741 -4.965 499 2HB GLN 61 1HB GLN 61 15.492 0.723 -5.914 500 1HG GLN 61 2HG GLN 61 13.838 2.676 -7.431 501 2HG GLN 61 1HG GLN 61 15.140 3.342 -6.444 502 1HE2 GLN 61 2HE2 GLN 61 17.664 2.292 -8.659 503 2HE2 GLN 61 1HE2 GLN 61 17.241 3.206 -7.293 504 H LEU 62 H LEU 62 14.607 -0.849 -4.642 505 HA LEU 62 HA LEU 62 15.917 -2.919 -5.778 506 1HB LEU 62 2HB LEU 62 14.396 -4.168 -3.693 507 2HB LEU 62 1HB LEU 62 16.080 -3.653 -3.662 508 HG LEU 62 HG LEU 62 15.334 -1.352 -3.056 509 1HD1 LEU 62 1HD1 LEU 62 12.893 -2.136 -4.021 510 2HD1 LEU 62 3HD1 LEU 62 12.640 -2.285 -2.288 511 3HD1 LEU 62 2HD1 LEU 62 13.136 -0.739 -2.979 512 1HD2 LEU 62 2HD2 LEU 62 14.507 -3.686 -1.330 513 2HD2 LEU 62 1HD2 LEU 62 15.965 -2.701 -1.210 514 3HD2 LEU 62 3HD2 LEU 62 14.401 -2.019 -0.760 515 H THR 63 H THR 63 12.445 -2.664 -5.670 516 HA THR 63 HA THR 63 12.136 -5.359 -6.850 517 HB THR 63 HB THR 63 10.604 -4.520 -5.026 518 HG1 THR 63 HG1 THR 63 9.847 -6.161 -6.271 519 1HG2 THR 63 1HG2 THR 63 10.315 -2.364 -6.955 520 2HG2 THR 63 3HG2 THR 63 8.756 -3.040 -6.489 521 3HG2 THR 63 2HG2 THR 63 9.849 -2.414 -5.257 522 H GLU 64 H GLU 64 9.614 -4.070 -8.218 523 HA GLU 64 HA GLU 64 10.993 -2.636 -10.418 524 1HB GLU 64 2HB GLU 64 9.065 -4.780 -11.204 525 2HB GLU 64 1HB GLU 64 10.468 -4.159 -12.074 526 1HG GLU 64 2HG GLU 64 11.926 -5.260 -10.323 527 2HG GLU 64 1HG GLU 64 10.471 -6.033 -9.695 528 H ASN 65 H ASN 65 7.881 -3.909 -9.225 529 HA ASN 65 HA ASN 65 6.676 -1.249 -9.629 530 1HB ASN 65 2HB ASN 65 6.180 -3.565 -11.384 531 2HB ASN 65 1HB ASN 65 4.717 -2.814 -10.747 532 1HD2 ASN 65 2HD2 ASN 65 4.965 -0.038 -12.892 533 2HD2 ASN 65 1HD2 ASN 65 4.014 -0.955 -11.826 534 H GLY 66 H GLY 66 7.267 -3.454 -7.523 535 1HA GLY 66 2HA GLY 66 4.751 -4.441 -6.573 536 2HA GLY 66 1HA GLY 66 6.214 -4.279 -5.596 537 H ALA 67 H ALA 67 6.730 -1.853 -5.068 538 HA ALA 67 HA ALA 67 4.494 -0.802 -3.581 539 1HB ALA 67 1HB ALA 67 7.211 0.339 -4.278 540 2HB ALA 67 3HB ALA 67 6.049 1.190 -3.261 541 3HB ALA 67 2HB ALA 67 6.700 -0.365 -2.743 542 H GLU 68 H GLU 68 5.965 0.041 -6.690 543 HA GLU 68 HA GLU 68 4.579 2.462 -7.133 544 1HB GLU 68 2HB GLU 68 6.442 1.752 -8.554 545 2HB GLU 68 1HB GLU 68 5.494 0.383 -9.136 546 1HG GLU 68 2HG GLU 68 5.139 1.942 -10.834 547 2HG GLU 68 1HG GLU 68 3.746 2.237 -9.791 548 H SER 69 H SER 69 3.583 -0.892 -7.540 549 HA SER 69 HA SER 69 1.115 -0.133 -8.925 550 1HB SER 69 2HB SER 69 2.202 -2.749 -7.875 551 2HB SER 69 1HB SER 69 0.575 -2.615 -8.540 552 HG SER 69 HG SER 69 1.390 -2.229 -10.490 553 H VAL 70 H VAL 70 1.926 -1.363 -5.639 554 HA VAL 70 HA VAL 70 -0.691 -1.485 -4.640 555 HB VAL 70 HB VAL 70 1.892 -0.634 -3.302 556 1HG1 VAL 70 2HG1 VAL 70 -0.931 -0.508 -2.295 557 2HG1 VAL 70 1HG1 VAL 70 0.317 -1.054 -1.178 558 3HG1 VAL 70 3HG1 VAL 70 0.435 0.541 -1.918 559 1HG2 VAL 70 3HG2 VAL 70 1.578 -3.038 -3.887 560 2HG2 VAL 70 2HG2 VAL 70 1.641 -2.788 -2.142 561 3HG2 VAL 70 1HG2 VAL 70 0.091 -3.055 -2.940 562 H LEU 71 H LEU 71 1.509 1.164 -5.199 563 HA LEU 71 HA LEU 71 -0.209 3.111 -4.011 564 1HB LEU 71 2HB LEU 71 2.344 3.252 -4.467 565 2HB LEU 71 1HB LEU 71 1.860 3.781 -6.080 566 HG LEU 71 HG LEU 71 0.680 5.666 -5.210 567 1HD1 LEU 71 1HD1 LEU 71 0.822 4.119 -2.674 568 2HD1 LEU 71 3HD1 LEU 71 0.859 5.880 -2.545 569 3HD1 LEU 71 2HD1 LEU 71 -0.506 5.081 -3.338 570 1HD2 LEU 71 3HD2 LEU 71 3.161 5.854 -5.265 571 2HD2 LEU 71 2HD2 LEU 71 2.433 6.874 -4.027 572 3HD2 LEU 71 1HD2 LEU 71 3.208 5.357 -3.573 573 H GLN 72 H GLN 72 0.395 2.145 -7.419 574 HA GLN 72 HA GLN 72 -1.290 4.053 -8.622 575 1HB GLN 72 2HB GLN 72 -0.790 1.144 -9.275 576 2HB GLN 72 1HB GLN 72 -1.848 2.146 -10.271 577 1HG GLN 72 2HG GLN 72 -0.083 3.613 -10.869 578 2HG GLN 72 1HG GLN 72 0.956 3.021 -9.573 579 1HE2 GLN 72 2HE2 GLN 72 0.418 0.042 -12.284 580 2HE2 GLN 72 1HE2 GLN 72 -0.886 0.660 -11.391 581 H VAL 73 H VAL 73 -2.018 1.303 -6.671 582 HA VAL 73 HA VAL 73 -4.906 1.389 -7.203 583 HB VAL 73 HB VAL 73 -3.228 -0.226 -5.273 584 1HG1 VAL 73 1HG1 VAL 73 -5.717 0.275 -4.673 585 2HG1 VAL 73 3HG1 VAL 73 -6.077 -0.792 -6.026 586 3HG1 VAL 73 2HG1 VAL 73 -5.166 -1.399 -4.650 587 1HG2 VAL 73 3HG2 VAL 73 -3.578 -0.361 -8.029 588 2HG2 VAL 73 2HG2 VAL 73 -3.001 -1.675 -6.998 589 3HG2 VAL 73 1HG2 VAL 73 -4.717 -1.559 -7.409 590 H PHE 74 H PHE 74 -2.773 2.182 -4.442 591 HA PHE 74 HA PHE 74 -4.762 2.903 -2.612 592 1HB PHE 74 2HB PHE 74 -1.886 3.484 -3.023 593 2HB PHE 74 1HB PHE 74 -2.765 4.647 -2.048 594 HD1 PHE 74 HD2 PHE 74 -4.018 3.887 -0.005 595 HD2 PHE 74 HD1 PHE 74 -1.414 1.294 -2.217 596 HE1 PHE 74 HE2 PHE 74 -3.979 2.281 1.882 597 HE2 PHE 74 HE1 PHE 74 -1.382 -0.295 -0.322 598 HZ PHE 74 HZ PHE 74 -2.665 0.220 1.713 599 H ARG 75 H ARG 75 -2.881 4.906 -4.844 600 HA ARG 75 HA ARG 75 -4.400 7.289 -4.566 601 1HB ARG 75 2HB ARG 75 -2.678 6.186 -6.793 602 2HB ARG 75 1HB ARG 75 -3.498 7.741 -6.939 603 1HG ARG 75 2HG ARG 75 -2.401 8.470 -4.816 604 2HG ARG 75 1HG ARG 75 -1.505 6.951 -4.798 605 1HD ARG 75 2HD ARG 75 0.047 8.188 -5.937 606 2HD ARG 75 1HD ARG 75 -0.963 7.765 -7.319 607 HE ARG 75 HE ARG 75 -1.931 10.173 -6.063 608 1HH1 ARG 75 1HH2 ARG 75 0.932 9.093 -7.596 609 2HH1 ARG 75 2HH2 ARG 75 1.068 10.472 -8.635 610 1HH2 ARG 75 2HH1 ARG 75 -1.933 11.873 -7.610 611 2HH2 ARG 75 1HH1 ARG 75 -0.554 12.045 -8.643 612 H GLU 76 H GLU 76 -4.714 4.515 -6.865 613 HA GLU 76 HA GLU 76 -6.840 5.577 -8.412 614 1HB GLU 76 2HB GLU 76 -5.865 2.874 -7.708 615 2HB GLU 76 1HB GLU 76 -7.551 2.954 -8.215 616 1HG GLU 76 2HG GLU 76 -7.018 3.771 -10.328 617 2HG GLU 76 1HG GLU 76 -5.455 4.397 -9.801 618 H ALA 77 H ALA 77 -6.793 4.378 -5.152 619 HA ALA 77 HA ALA 77 -9.704 4.161 -4.913 620 1HB ALA 77 1HB ALA 77 -7.437 4.095 -2.882 621 2HB ALA 77 3HB ALA 77 -9.129 3.825 -2.471 622 3HB ALA 77 2HB ALA 77 -8.298 2.709 -3.547 623 H LYS 78 H LYS 78 -7.213 6.416 -3.637 624 HA LYS 78 HA LYS 78 -9.135 8.228 -2.526 625 1HB LYS 78 2HB LYS 78 -7.273 9.613 -2.115 626 2HB LYS 78 1HB LYS 78 -6.601 7.991 -2.046 627 1HG LYS 78 2HG LYS 78 -5.095 8.719 -3.568 628 2HG LYS 78 1HG LYS 78 -6.414 8.634 -4.736 629 1HD LYS 78 2HD LYS 78 -5.580 10.846 -4.944 630 2HD LYS 78 1HD LYS 78 -7.030 11.009 -3.951 631 1HE LYS 78 2HE LYS 78 -5.692 11.072 -1.921 632 2HE LYS 78 1HE LYS 78 -4.221 10.751 -2.839 633 1HZ LYS 78 2HZ LYS 78 -5.010 12.863 -4.137 634 2HZ LYS 78 1HZ LYS 78 -5.822 13.200 -2.683 635 3HZ LYS 78 3HZ LYS 78 -4.137 13.010 -2.687 636 H ALA 79 H ALA 79 -8.363 7.442 -5.704 637 HA ALA 79 HA ALA 79 -8.957 10.124 -6.818 638 1HB ALA 79 1HB ALA 79 -7.365 7.969 -7.666 639 2HB ALA 79 3HB ALA 79 -8.772 7.936 -8.733 640 3HB ALA 79 2HB ALA 79 -7.782 9.396 -8.617 641 H GLU 80 H GLU 80 -9.943 6.874 -7.780 642 HA GLU 80 HA GLU 80 -12.310 7.439 -9.042 643 1HB GLU 80 2HB GLU 80 -11.926 5.105 -7.151 644 2HB GLU 80 1HB GLU 80 -12.990 5.183 -8.554 645 1HG GLU 80 2HG GLU 80 -10.288 5.879 -9.310 646 2HG GLU 80 1HG GLU 80 -10.327 4.299 -8.526 647 H GLY 81 H GLY 81 -12.133 6.596 -5.526 648 1HA GLY 81 2HA GLY 81 -14.110 8.679 -4.945 649 2HA GLY 81 1HA GLY 81 -14.795 7.054 -4.863 650 H ALA 82 H ALA 82 -12.369 5.808 -3.854 651 HA ALA 82 HA ALA 82 -12.751 5.748 -1.150 652 1HB ALA 82 1HB ALA 82 -10.765 4.842 -2.872 653 2HB ALA 82 3HB ALA 82 -9.890 5.828 -1.698 654 3HB ALA 82 2HB ALA 82 -10.891 4.483 -1.152 655 H ASP 83 H ASP 83 -11.757 6.765 0.680 656 HA ASP 83 HA ASP 83 -10.928 9.595 0.174 657 1HB ASP 83 2HB ASP 83 -12.909 8.510 1.898 658 2HB ASP 83 1HB ASP 83 -11.589 9.057 2.934 659 H ILE 84 H ILE 84 -8.881 8.137 -0.267 660 HA ILE 84 HA ILE 84 -7.465 7.544 2.282 661 HB ILE 84 HB ILE 84 -6.885 6.754 -0.584 662 1HG1 ILE 84 2HG1 ILE 84 -7.441 4.780 1.539 663 2HG1 ILE 84 1HG1 ILE 84 -8.806 5.775 1.037 664 1HG2 ILE 84 2HG2 ILE 84 -4.904 7.056 1.103 665 2HG2 ILE 84 1HG2 ILE 84 -5.555 5.599 1.857 666 3HG2 ILE 84 3HG2 ILE 84 -5.009 5.556 0.178 667 1HD1 ILE 84 1HD1 ILE 84 -7.592 5.107 -1.357 668 2HD1 ILE 84 3HD1 ILE 84 -7.435 3.633 -0.402 669 3HD1 ILE 84 2HD1 ILE 84 -9.027 4.337 -0.685 670 H THR 85 H THR 85 -5.367 8.371 2.635 671 HA THR 85 HA THR 85 -4.743 10.828 1.067 672 HB THR 85 HB THR 85 -3.380 10.219 3.658 673 HG1 THR 85 HG1 THR 85 -5.375 11.430 4.503 674 1HG2 THR 85 3HG2 THR 85 -4.514 12.707 2.350 675 2HG2 THR 85 2HG2 THR 85 -3.683 12.686 3.905 676 3HG2 THR 85 1HG2 THR 85 -2.814 12.248 2.435 677 H ILE 86 H ILE 86 -3.541 9.882 -0.606 678 HA ILE 86 HA ILE 86 -1.459 7.927 -0.027 679 HB ILE 86 HB ILE 86 -2.624 9.207 -2.441 680 1HG1 ILE 86 2HG1 ILE 86 -2.901 7.006 -3.149 681 2HG1 ILE 86 1HG1 ILE 86 -1.465 6.442 -2.307 682 1HG2 ILE 86 2HG2 ILE 86 0.279 8.592 -2.171 683 2HG2 ILE 86 1HG2 ILE 86 -0.516 8.035 -3.642 684 3HG2 ILE 86 3HG2 ILE 86 -0.533 9.749 -3.227 685 1HD1 ILE 86 3HD1 ILE 86 -3.526 7.467 -0.479 686 2HD1 ILE 86 2HD1 ILE 86 -4.076 6.102 -1.443 687 3HD1 ILE 86 1HD1 ILE 86 -2.643 5.938 -0.425 688 H ILE 87 H ILE 87 0.095 8.803 1.276 689 HA ILE 87 HA ILE 87 1.169 11.487 0.732 690 HB ILE 87 HB ILE 87 2.207 9.410 2.675 691 1HG1 ILE 87 2HG1 ILE 87 -0.244 9.946 2.963 692 2HG1 ILE 87 1HG1 ILE 87 0.758 10.410 4.339 693 1HG2 ILE 87 1HG2 ILE 87 2.905 12.159 1.980 694 2HG2 ILE 87 3HG2 ILE 87 2.531 11.980 3.695 695 3HG2 ILE 87 2HG2 ILE 87 3.794 10.992 2.960 696 1HD1 ILE 87 3HD1 ILE 87 0.534 12.491 2.271 697 2HD1 ILE 87 2HD1 ILE 87 -0.995 12.089 3.052 698 3HD1 ILE 87 1HD1 ILE 87 0.377 12.625 4.022 699 H LEU 88 H LEU 88 3.050 11.928 -0.352 700 HA LEU 88 HA LEU 88 4.965 9.748 -0.910 701 1HB LEU 88 2HB LEU 88 3.605 11.334 -3.112 702 2HB LEU 88 1HB LEU 88 4.937 10.201 -3.342 703 HG LEU 88 HG LEU 88 2.286 9.438 -2.092 704 1HD1 LEU 88 3HD1 LEU 88 2.246 10.192 -4.561 705 2HD1 LEU 88 2HD1 LEU 88 3.201 8.744 -4.883 706 3HD1 LEU 88 1HD1 LEU 88 1.584 8.600 -4.191 707 1HD2 LEU 88 3HD2 LEU 88 4.465 8.114 -1.648 708 2HD2 LEU 88 2HD2 LEU 88 3.074 7.205 -2.237 709 3HD2 LEU 88 1HD2 LEU 88 4.372 7.647 -3.345 710 H SER 89 HN SER 89 5.869 11.480 0.703 711 HA SER 89 HA SER 89 6.673 14.040 -0.363 712 1HB SER 89 2HB SER 89 6.587 13.821 2.020 713 2HB SER 89 1HB SER 89 7.620 12.391 1.993 714 HG SER 89 HG SER 89 8.406 14.971 1.099 No H/Q in entry = 714 Start of MODEL 27 1 1H LYS 1 2H LYS 1 -7.978 3.442 7.659 2 2H LYS 1 1H LYS 1 -8.822 2.832 9.003 3 3H LYS 1 3H LYS 1 -8.460 4.487 8.910 4 HA LYS 1 HA LYS 1 -6.917 3.575 10.423 5 1HB LYS 1 2HB LYS 1 -6.377 1.514 8.262 6 2HB LYS 1 1HB LYS 1 -5.534 1.623 9.808 7 1HG LYS 1 2HG LYS 1 -8.464 1.006 9.353 8 2HG LYS 1 1HG LYS 1 -7.243 -0.053 10.060 9 1HD LYS 1 2HD LYS 1 -6.976 1.541 11.944 10 2HD LYS 1 1HD LYS 1 -8.246 2.551 11.252 11 1HE LYS 1 2HE LYS 1 -9.880 1.211 12.049 12 2HE LYS 1 1HE LYS 1 -9.061 -0.246 11.486 13 1HZ LYS 1 1HZ LYS 1 -7.487 0.228 13.454 14 2HZ LYS 1 3HZ LYS 1 -8.764 1.175 14.047 15 3HZ LYS 1 2HZ LYS 1 -8.999 -0.483 13.760 16 H LYS 2 H LYS 2 -4.300 3.263 9.816 17 HA LYS 2 HA LYS 2 -3.754 5.114 7.558 18 1HB LYS 2 2HB LYS 2 -2.596 6.674 8.837 19 2HB LYS 2 1HB LYS 2 -3.899 6.227 9.935 20 1HG LYS 2 2HG LYS 2 -2.054 6.052 11.338 21 2HG LYS 2 1HG LYS 2 -2.178 4.397 10.747 22 1HD LYS 2 2HD LYS 2 0.042 4.734 10.265 23 2HD LYS 2 1HD LYS 2 -0.631 5.442 8.797 24 1HE LYS 2 2HE LYS 2 0.903 7.064 9.632 25 2HE LYS 2 1HE LYS 2 -0.697 7.661 10.073 26 1HZ LYS 2 2HZ LYS 2 1.031 6.048 11.868 27 2HZ LYS 2 1HZ LYS 2 0.943 7.745 11.903 28 3HZ LYS 2 3HZ LYS 2 -0.428 6.819 12.272 29 H ALA 3 H ALA 3 -2.397 4.040 6.254 30 HA ALA 3 HA ALA 3 -0.550 2.028 7.402 31 1HB ALA 3 1HB ALA 3 -1.679 2.603 4.708 32 2HB ALA 3 3HB ALA 3 -0.049 1.933 4.749 33 3HB ALA 3 2HB ALA 3 -1.382 1.053 5.495 34 H VAL 4 H VAL 4 1.742 2.212 7.131 35 HA VAL 4 HA VAL 4 2.685 4.836 6.088 36 HB VAL 4 HB VAL 4 3.116 3.660 8.829 37 1HG1 VAL 4 1HG1 VAL 4 5.173 4.874 7.184 38 2HG1 VAL 4 3HG1 VAL 4 4.824 5.882 8.586 39 3HG1 VAL 4 2HG1 VAL 4 5.301 4.199 8.810 40 1HG2 VAL 4 3HG2 VAL 4 1.465 5.598 7.967 41 2HG2 VAL 4 2HG2 VAL 4 2.210 5.639 9.566 42 3HG2 VAL 4 1HG2 VAL 4 2.909 6.573 8.243 43 H ILE 5 H ILE 5 4.076 4.361 4.505 44 HA ILE 5 HA ILE 5 5.657 1.850 4.595 45 HB ILE 5 HB ILE 5 5.156 3.917 2.432 46 1HG1 ILE 5 2HG1 ILE 5 4.430 1.283 1.725 47 2HG1 ILE 5 1HG1 ILE 5 3.816 1.565 3.352 48 1HG2 ILE 5 2HG2 ILE 5 7.060 1.622 2.598 49 2HG2 ILE 5 1HG2 ILE 5 6.219 1.907 1.070 50 3HG2 ILE 5 3HG2 ILE 5 7.235 3.169 1.766 51 1HD1 ILE 5 3HD1 ILE 5 3.375 3.855 1.608 52 2HD1 ILE 5 2HD1 ILE 5 2.613 2.387 0.985 53 3HD1 ILE 5 1HD1 ILE 5 2.222 2.968 2.604 54 H ASN 6 H ASN 6 7.323 2.319 6.049 55 HA ASN 6 HA ASN 6 8.749 4.840 5.901 56 1HB ASN 6 2HB ASN 6 9.915 2.486 7.306 57 2HB ASN 6 1HB ASN 6 9.837 4.175 7.826 58 1HD2 ASN 6 2HD2 ASN 6 7.308 2.144 9.764 59 2HD2 ASN 6 1HD2 ASN 6 8.986 1.995 9.539 60 H GLY 7 H GLY 7 9.189 1.659 4.603 61 1HA GLY 7 2HA GLY 7 10.522 1.131 2.698 62 2HA GLY 7 1HA GLY 7 11.321 2.699 2.864 63 H GLU 8 H GLU 8 11.646 2.096 5.844 64 HA GLU 8 HA GLU 8 14.151 0.590 5.519 65 1HB GLU 8 2HB GLU 8 14.061 2.797 6.775 66 2HB GLU 8 1HB GLU 8 13.135 1.954 8.018 67 1HG GLU 8 2HG GLU 8 15.287 1.693 8.850 68 2HG GLU 8 1HG GLU 8 15.138 0.226 7.882 69 H GLN 9 H GLN 9 11.033 0.378 6.998 70 HA GLN 9 HA GLN 9 11.680 -2.034 8.527 71 1HB GLN 9 2HB GLN 9 9.738 -0.147 8.808 72 2HB GLN 9 1HB GLN 9 8.847 -1.396 7.937 73 1HG GLN 9 2HG GLN 9 10.224 -2.872 9.811 74 2HG GLN 9 1HG GLN 9 9.851 -1.398 10.703 75 1HE2 GLN 9 2HE2 GLN 9 6.560 -2.493 11.252 76 2HE2 GLN 9 1HE2 GLN 9 7.935 -1.694 11.844 77 H ILE 10 H ILE 10 10.638 -1.174 5.390 78 HA ILE 10 HA ILE 10 9.677 -3.896 4.756 79 HB ILE 10 HB ILE 10 9.984 -1.471 2.958 80 1HG1 ILE 10 2HG1 ILE 10 8.381 -1.054 4.782 81 2HG1 ILE 10 1HG1 ILE 10 7.530 -1.247 3.249 82 1HG2 ILE 10 1HG2 ILE 10 9.512 -4.210 2.405 83 2HG2 ILE 10 3HG2 ILE 10 7.973 -3.378 2.186 84 3HG2 ILE 10 2HG2 ILE 10 9.393 -2.852 1.284 85 1HD1 ILE 10 2HD1 ILE 10 7.677 -3.841 4.177 86 2HD1 ILE 10 1HD1 ILE 10 7.436 -2.919 5.661 87 3HD1 ILE 10 3HD1 ILE 10 6.274 -2.786 4.341 88 H ARG 11 H ARG 11 11.541 -5.165 4.824 89 HA ARG 11 HA ARG 11 14.095 -4.406 3.772 90 1HB ARG 11 2HB ARG 11 13.405 -7.274 3.507 91 2HB ARG 11 1HB ARG 11 14.772 -6.519 4.328 92 1HG ARG 11 2HG ARG 11 13.098 -5.785 6.120 93 2HG ARG 11 1HG ARG 11 11.963 -6.904 5.359 94 1HD ARG 11 2HD ARG 11 13.035 -8.734 6.177 95 2HD ARG 11 1HD ARG 11 14.630 -8.055 5.850 96 HE ARG 11 HE ARG 11 14.279 -6.691 7.975 97 1HH1 ARG 11 2HH1 ARG 11 11.503 -7.399 8.613 98 2HH1 ARG 11 1HH1 ARG 11 11.674 -8.722 9.718 99 1HH2 ARG 11 1HH2 ARG 11 14.973 -9.359 8.860 100 2HH2 ARG 11 2HH2 ARG 11 13.638 -9.831 9.858 101 H SER 12 H SER 12 11.405 -6.239 2.363 102 HA SER 12 HA SER 12 12.366 -5.401 -0.332 103 1HB SER 12 2HB SER 12 12.540 -8.050 0.689 104 2HB SER 12 1HB SER 12 11.239 -8.040 -0.498 105 HG SER 12 HG SER 12 12.727 -7.941 -1.964 106 H ILE 13 H ILE 13 10.584 -5.774 -1.994 107 HA ILE 13 HA ILE 13 8.213 -4.468 -1.324 108 HB ILE 13 HB ILE 13 8.947 -4.959 -3.631 109 1HG1 ILE 13 2HG1 ILE 13 6.469 -4.514 -2.898 110 2HG1 ILE 13 1HG1 ILE 13 6.794 -5.051 -4.540 111 1HG2 ILE 13 2HG2 ILE 13 8.177 -7.770 -2.845 112 2HG2 ILE 13 1HG2 ILE 13 8.332 -7.261 -4.527 113 3HG2 ILE 13 3HG2 ILE 13 9.730 -7.200 -3.455 114 1HD1 ILE 13 1HD1 ILE 13 6.421 -7.437 -3.658 115 2HD1 ILE 13 3HD1 ILE 13 5.745 -6.666 -2.228 116 3HD1 ILE 13 2HD1 ILE 13 5.006 -6.406 -3.803 117 H SER 14 H SER 14 9.003 -7.889 -0.959 118 HA SER 14 HA SER 14 6.459 -8.968 -0.469 119 1HB SER 14 2HB SER 14 8.562 -10.294 -0.508 120 2HB SER 14 1HB SER 14 9.012 -9.599 1.047 121 HG SER 14 HG SER 14 7.618 -10.863 2.005 122 H ASP 15 H ASP 15 8.637 -7.388 1.899 123 HA ASP 15 HA ASP 15 6.732 -7.559 4.054 124 1HB ASP 15 2HB ASP 15 9.407 -6.475 3.605 125 2HB ASP 15 1HB ASP 15 8.438 -5.468 4.674 126 H LEU 16 H LEU 16 7.126 -5.428 1.406 127 HA LEU 16 HA LEU 16 5.992 -3.022 2.417 128 1HB LEU 16 2HB LEU 16 7.040 -3.204 0.181 129 2HB LEU 16 1HB LEU 16 5.734 -4.255 -0.351 130 HG LEU 16 HG LEU 16 4.453 -2.480 -0.885 131 1HD1 LEU 16 3HD1 LEU 16 5.040 -1.540 1.924 132 2HD1 LEU 16 2HD1 LEU 16 4.157 -0.521 0.785 133 3HD1 LEU 16 1HD1 LEU 16 3.510 -2.095 1.243 134 1HD2 LEU 16 2HD2 LEU 16 7.083 -1.602 -0.887 135 2HD2 LEU 16 1HD2 LEU 16 5.720 -0.794 -1.664 136 3HD2 LEU 16 3HD2 LEU 16 6.217 -0.322 -0.038 137 H HIS 17 H HIS 17 4.438 -5.641 0.599 138 HA HIS 17 HA HIS 17 1.767 -4.755 1.099 139 1HB HIS 17 2HB HIS 17 2.796 -7.517 0.405 140 2HB HIS 17 1HB HIS 17 1.120 -6.972 0.241 141 HD1 HIS 17 HD1 HIS 17 0.555 -6.038 -2.009 142 HD2 HIS 17 HD2 HIS 17 4.624 -5.675 -1.191 143 HE1 HIS 17 HE1 HIS 17 1.628 -5.039 -4.078 144 H GLN 18 H GLN 18 4.053 -6.264 3.092 145 HA GLN 18 HA GLN 18 2.103 -7.583 4.840 146 1HB GLN 18 2HB GLN 18 5.054 -6.964 5.183 147 2HB GLN 18 1HB GLN 18 4.089 -7.850 6.366 148 1HG GLN 18 2HG GLN 18 3.552 -9.549 4.652 149 2HG GLN 18 1HG GLN 18 4.538 -8.671 3.481 150 1HE2 GLN 18 1HE2 GLN 18 4.816 -10.183 6.745 151 2HE2 GLN 18 2HE2 GLN 18 6.432 -10.664 6.544 152 H THR 19 H THR 19 3.778 -4.587 4.522 153 HA THR 19 HA THR 19 3.037 -3.512 7.114 154 HB THR 19 HB THR 19 4.352 -2.485 4.632 155 HG1 THR 19 HG1 THR 19 5.715 -1.642 6.416 156 1HG2 THR 19 2HG2 THR 19 2.642 -0.854 6.402 157 2HG2 THR 19 1HG2 THR 19 4.270 -0.219 6.163 158 3HG2 THR 19 3HG2 THR 19 3.227 -0.516 4.772 159 H LEU 20 H LEU 20 1.757 -3.506 3.880 160 HA LEU 20 HA LEU 20 -0.420 -1.649 4.546 161 1HB LEU 20 2HB LEU 20 -0.749 -3.417 2.189 162 2HB LEU 20 1HB LEU 20 -0.986 -1.673 2.328 163 HG LEU 20 HG LEU 20 1.673 -3.078 2.204 164 1HD1 LEU 20 2HD1 LEU 20 -0.043 -2.587 0.137 165 2HD1 LEU 20 1HD1 LEU 20 0.954 -1.132 0.141 166 3HD1 LEU 20 3HD1 LEU 20 1.709 -2.716 -0.024 167 1HD2 LEU 20 2HD2 LEU 20 1.224 -0.769 3.489 168 2HD2 LEU 20 1HD2 LEU 20 2.696 -1.042 2.558 169 3HD2 LEU 20 3HD2 LEU 20 1.358 -0.142 1.846 170 H LYS 21 H LYS 21 0.210 -5.049 4.510 171 HA LYS 21 HA LYS 21 -2.577 -5.863 4.786 172 1HB LYS 21 2HB LYS 21 -0.980 -7.439 3.838 173 2HB LYS 21 1HB LYS 21 0.032 -7.332 5.280 174 1HG LYS 21 2HG LYS 21 -1.320 -8.716 6.487 175 2HG LYS 21 1HG LYS 21 -2.794 -8.051 5.782 176 1HD LYS 21 2HD LYS 21 -2.790 -9.531 4.025 177 2HD LYS 21 1HD LYS 21 -1.030 -9.616 3.965 178 1HE LYS 21 2HE LYS 21 -2.678 -10.829 6.198 179 2HE LYS 21 1HE LYS 21 -2.154 -11.733 4.776 180 1HZ LYS 21 2HZ LYS 21 0.156 -10.971 5.355 181 2HZ LYS 21 1HZ LYS 21 -0.468 -10.462 6.851 182 3HZ LYS 21 3HZ LYS 21 -0.536 -12.101 6.419 183 H LYS 22 H LYS 22 0.028 -4.872 6.864 184 HA LYS 22 HA LYS 22 -1.257 -5.857 9.311 185 1HB LYS 22 2HB LYS 22 1.064 -5.823 9.553 186 2HB LYS 22 1HB LYS 22 1.239 -4.325 8.643 187 1HG LYS 22 2HG LYS 22 0.202 -3.079 10.514 188 2HG LYS 22 1HG LYS 22 0.073 -4.580 11.433 189 1HD LYS 22 2HD LYS 22 2.691 -4.691 10.807 190 2HD LYS 22 1HD LYS 22 2.478 -2.939 10.813 191 1HE LYS 22 2HE LYS 22 1.901 -2.880 13.069 192 2HE LYS 22 1HE LYS 22 1.356 -4.558 13.078 193 1HZ LYS 22 1HZ LYS 22 4.151 -4.161 12.430 194 2HZ LYS 22 3HZ LYS 22 3.720 -3.752 14.018 195 3HZ LYS 22 2HZ LYS 22 3.419 -5.319 13.436 196 H GLU 23 H GLU 23 -0.801 -2.723 7.662 197 HA GLU 23 HA GLU 23 -2.185 -1.234 9.730 198 1HB GLU 23 2HB GLU 23 -1.640 -0.466 6.854 199 2HB GLU 23 1HB GLU 23 -2.104 0.636 8.151 200 1HG GLU 23 2HG GLU 23 0.337 -1.111 8.413 201 2HG GLU 23 1HG GLU 23 0.419 0.437 7.571 202 H LEU 24 H LEU 24 -3.055 -2.414 6.543 203 HA LEU 24 HA LEU 24 -5.819 -1.517 6.772 204 1HB LEU 24 2HB LEU 24 -4.746 -3.523 4.787 205 2HB LEU 24 1HB LEU 24 -6.091 -2.399 4.585 206 HG LEU 24 HG LEU 24 -3.286 -1.409 5.091 207 1HD1 LEU 24 2HD1 LEU 24 -4.240 -2.784 2.761 208 2HD1 LEU 24 1HD1 LEU 24 -3.937 -1.092 2.364 209 3HD1 LEU 24 3HD1 LEU 24 -2.652 -2.080 3.062 210 1HD2 LEU 24 1HD2 LEU 24 -5.843 -0.223 4.845 211 2HD2 LEU 24 3HD2 LEU 24 -4.285 0.590 4.970 212 3HD2 LEU 24 2HD2 LEU 24 -4.949 0.194 3.384 213 H ALA 25 H ALA 25 -4.024 -4.449 7.439 214 HA ALA 25 HA ALA 25 -4.729 -6.341 8.660 215 1HB ALA 25 1HB ALA 25 -6.648 -4.404 9.313 216 2HB ALA 25 3HB ALA 25 -7.584 -5.793 8.760 217 3HB ALA 25 2HB ALA 25 -6.438 -5.974 10.088 218 H LEU 26 H LEU 26 -4.454 -6.512 5.957 219 HA LEU 26 HA LEU 26 -6.822 -7.481 4.605 220 1HB LEU 26 2HB LEU 26 -3.921 -8.060 3.923 221 2HB LEU 26 1HB LEU 26 -5.298 -8.078 2.825 222 HG LEU 26 HG LEU 26 -4.342 -5.626 4.315 223 1HD1 LEU 26 1HD1 LEU 26 -2.841 -6.578 2.452 224 2HD1 LEU 26 3HD1 LEU 26 -4.149 -6.154 1.348 225 3HD1 LEU 26 2HD1 LEU 26 -3.345 -4.896 2.287 226 1HD2 LEU 26 3HD2 LEU 26 -6.808 -6.272 3.060 227 2HD2 LEU 26 2HD2 LEU 26 -6.291 -4.700 3.672 228 3HD2 LEU 26 1HD2 LEU 26 -5.971 -5.142 1.995 229 HA PRO 27 HA PRO 27 -6.901 -11.653 5.922 230 1HB PRO 27 2HB PRO 27 -7.406 -13.024 3.592 231 2HB PRO 27 1HB PRO 27 -8.614 -12.041 4.443 232 1HG PRO 27 2HG PRO 27 -7.116 -11.425 1.938 233 2HG PRO 27 1HG PRO 27 -8.708 -10.850 2.463 234 1HD PRO 27 2HD PRO 27 -6.298 -9.401 2.579 235 2HD PRO 27 1HD PRO 27 -7.804 -8.967 3.413 236 H GLU 28 H GLU 28 -6.102 -14.025 5.026 237 HA GLU 28 HA GLU 28 -3.188 -13.841 5.068 238 1HB GLU 28 2HB GLU 28 -4.372 -15.594 6.331 239 2HB GLU 28 1HB GLU 28 -5.018 -16.248 4.825 240 1HG GLU 28 2HG GLU 28 -3.172 -17.566 4.828 241 2HG GLU 28 1HG GLU 28 -2.323 -16.119 4.284 242 H TYR 29 H TYR 29 -5.657 -14.833 2.703 243 HA TYR 29 HA TYR 29 -3.666 -15.660 0.749 244 1HB TYR 29 2HB TYR 29 -5.700 -15.592 -0.816 245 2HB TYR 29 1HB TYR 29 -5.770 -16.723 0.539 246 HD1 TYR 29 HD2 TYR 29 -6.513 -13.088 -0.104 247 HD2 TYR 29 HD1 TYR 29 -7.750 -16.772 1.735 248 HE1 TYR 29 HE2 TYR 29 -8.593 -11.996 0.700 249 HE2 TYR 29 HE1 TYR 29 -9.824 -15.676 2.539 250 HH TYR 29 HH TYR 29 -10.843 -13.676 2.847 251 H TYR 30 H TYR 30 -4.286 -12.670 1.888 252 HA TYR 30 HA TYR 30 -4.821 -10.865 -0.095 253 1HB TYR 30 2HB TYR 30 -4.063 -10.164 2.123 254 2HB TYR 30 1HB TYR 30 -2.442 -10.770 1.786 255 HD1 TYR 30 HD1 TYR 30 -4.591 -9.060 -0.702 256 HD2 TYR 30 HD2 TYR 30 -1.263 -8.688 1.990 257 HE1 TYR 30 HE1 TYR 30 -3.995 -6.880 -1.733 258 HE2 TYR 30 HE2 TYR 30 -0.666 -6.519 0.954 259 HH TYR 30 HH TYR 30 -1.001 -5.267 -1.016 260 H GLY 31 H GLY 31 -4.257 -10.971 -2.200 261 1HA GLY 31 2HA GLY 31 -2.104 -12.425 -3.298 262 2HA GLY 31 1HA GLY 31 -2.921 -11.094 -4.125 263 H GLU 32 H GLU 32 -2.032 -9.422 -1.627 264 HA GLU 32 HA GLU 32 -0.270 -7.936 -1.192 265 1HB GLU 32 2HB GLU 32 1.423 -10.211 -2.273 266 2HB GLU 32 1HB GLU 32 1.997 -8.860 -1.294 267 1HG GLU 32 2HG GLU 32 -0.211 -10.020 0.080 268 2HG GLU 32 1HG GLU 32 0.857 -11.338 -0.407 269 H ASN 33 H ASN 33 -1.624 -7.754 -3.709 270 HA ASN 33 HA ASN 33 0.524 -6.439 -5.277 271 1HB ASN 33 2HB ASN 33 -0.837 -7.424 -7.349 272 2HB ASN 33 1HB ASN 33 0.471 -8.340 -6.600 273 1HD2 ASN 33 2HD2 ASN 33 -1.951 -10.945 -6.390 274 2HD2 ASN 33 1HD2 ASN 33 -0.580 -10.387 -7.223 275 H LEU 34 H LEU 34 -0.993 -5.568 -7.408 276 HA LEU 34 HA LEU 34 -2.658 -3.547 -6.124 277 1HB LEU 34 2HB LEU 34 -3.104 -2.917 -8.594 278 2HB LEU 34 1HB LEU 34 -1.452 -2.750 -7.998 279 HG LEU 34 HG LEU 34 -2.133 -5.416 -9.088 280 1HD1 LEU 34 2HD1 LEU 34 -2.567 -2.940 -10.616 281 2HD1 LEU 34 1HD1 LEU 34 -1.456 -4.067 -11.395 282 3HD1 LEU 34 3HD1 LEU 34 -3.087 -4.588 -10.973 283 1HD2 LEU 34 1HD2 LEU 34 0.142 -4.036 -8.371 284 2HD2 LEU 34 3HD2 LEU 34 0.119 -5.474 -9.392 285 3HD2 LEU 34 2HD2 LEU 34 0.148 -3.873 -10.128 286 H ASP 35 H ASP 35 -3.205 -6.674 -7.423 287 HA ASP 35 HA ASP 35 -5.995 -6.179 -8.141 288 1HB ASP 35 2HB ASP 35 -5.785 -8.900 -7.800 289 2HB ASP 35 1HB ASP 35 -5.558 -8.052 -9.324 290 H ALA 36 H ALA 36 -4.333 -7.971 -5.517 291 HA ALA 36 HA ALA 36 -6.821 -8.375 -4.076 292 1HB ALA 36 2HB ALA 36 -4.600 -9.749 -3.932 293 2HB ALA 36 1HB ALA 36 -4.113 -8.507 -2.779 294 3HB ALA 36 3HB ALA 36 -5.539 -9.496 -2.459 295 H LEU 37 H LEU 37 -4.263 -6.024 -4.067 296 HA LEU 37 HA LEU 37 -5.050 -4.676 -1.626 297 1HB LEU 37 2HB LEU 37 -2.808 -4.403 -2.696 298 2HB LEU 37 1HB LEU 37 -3.589 -3.556 -4.030 299 HG LEU 37 HG LEU 37 -4.570 -2.325 -1.711 300 1HD1 LEU 37 2HD1 LEU 37 -1.686 -3.128 -1.485 301 2HD1 LEU 37 1HD1 LEU 37 -2.200 -1.568 -0.842 302 3HD1 LEU 37 3HD1 LEU 37 -2.923 -3.056 -0.230 303 1HD2 LEU 37 3HD2 LEU 37 -2.649 -1.649 -3.908 304 2HD2 LEU 37 2HD2 LEU 37 -4.229 -0.958 -3.549 305 3HD2 LEU 37 1HD2 LEU 37 -2.832 -0.514 -2.568 306 H TRP 38 H TRP 38 -5.486 -3.881 -5.071 307 HA TRP 38 HA TRP 38 -7.285 -1.721 -4.718 308 1HB TRP 38 2HB TRP 38 -6.240 -2.294 -6.879 309 2HB TRP 38 1HB TRP 38 -7.114 -3.815 -6.896 310 HD1 TRP 38 HD1 TRP 38 -8.953 -3.750 -8.528 311 HE1 TRP 38 HE1 TRP 38 -10.714 -2.051 -9.337 312 HE3 TRP 38 HE3 TRP 38 -7.629 0.320 -5.721 313 HZ2 TRP 38 HZ2 TRP 38 -11.447 0.663 -8.875 314 HZ3 TRP 38 HZ3 TRP 38 -8.861 2.449 -5.953 315 HH2 TRP 38 HH2 TRP 38 -10.773 2.625 -7.517 316 H ASP 39 H ASP 39 -7.775 -5.177 -4.889 317 HA ASP 39 HA ASP 39 -10.647 -5.111 -4.753 318 1HB ASP 39 2HB ASP 39 -8.542 -7.145 -4.541 319 2HB ASP 39 1HB ASP 39 -9.940 -7.472 -3.517 320 H ALA 40 H ALA 40 -8.108 -4.899 -2.392 321 HA ALA 40 HA ALA 40 -9.918 -5.272 -0.110 322 1HB ALA 40 1HB ALA 40 -7.059 -4.257 -0.217 323 2HB ALA 40 3HB ALA 40 -7.949 -4.641 1.256 324 3HB ALA 40 2HB ALA 40 -7.551 -5.919 0.106 325 H LEU 41 H LEU 41 -7.751 -2.549 -0.840 326 HA LEU 41 HA LEU 41 -8.898 -0.524 0.581 327 1HB LEU 41 2HB LEU 41 -7.810 -0.479 -2.233 328 2HB LEU 41 1HB LEU 41 -8.329 0.998 -1.425 329 HG LEU 41 HG LEU 41 -6.454 -0.857 -0.005 330 1HD1 LEU 41 2HD1 LEU 41 -5.640 1.197 -2.094 331 2HD1 LEU 41 1HD1 LEU 41 -4.530 0.350 -1.011 332 3HD1 LEU 41 3HD1 LEU 41 -5.436 -0.550 -2.232 333 1HD2 LEU 41 2HD2 LEU 41 -7.650 1.488 0.688 334 2HD2 LEU 41 1HD2 LEU 41 -6.128 0.910 1.372 335 3HD2 LEU 41 3HD2 LEU 41 -6.113 2.071 0.042 336 H THR 42 H THR 42 -9.954 -1.514 -2.629 337 HA THR 42 HA THR 42 -12.381 0.132 -2.425 338 HB THR 42 HB THR 42 -12.780 -0.440 -4.671 339 HG1 THR 42 HG1 THR 42 -11.416 -2.331 -5.475 340 1HG2 THR 42 1HG2 THR 42 -10.667 0.819 -4.374 341 2HG2 THR 42 3HG2 THR 42 -9.783 -0.705 -4.305 342 3HG2 THR 42 2HG2 THR 42 -10.612 -0.231 -5.788 343 H GLY 43 H GLY 43 -12.383 -1.682 -0.307 344 1HA GLY 43 2HA GLY 43 -14.771 -2.741 0.025 345 2HA GLY 43 1HA GLY 43 -14.185 -3.882 -1.186 346 H TRP 44 H TRP 44 -12.378 -2.437 1.557 347 HA TRP 44 HA TRP 44 -12.538 -4.837 3.169 348 1HB TRP 44 2HB TRP 44 -11.052 -5.745 1.441 349 2HB TRP 44 1HB TRP 44 -9.978 -4.357 1.623 350 HD1 TRP 44 HD1 TRP 44 -8.892 -4.037 4.154 351 HE1 TRP 44 HE1 TRP 44 -8.067 -5.854 5.788 352 HE3 TRP 44 HE3 TRP 44 -11.302 -8.110 2.237 353 HZ2 TRP 44 HZ2 TRP 44 -8.389 -8.666 6.223 354 HZ3 TRP 44 HZ3 TRP 44 -11.028 -10.342 3.278 355 HH2 TRP 44 HH2 TRP 44 -9.574 -10.625 5.267 356 H VAL 45 H VAL 45 -10.540 -2.066 2.284 357 HA VAL 45 HA VAL 45 -9.575 -1.657 4.995 358 HB VAL 45 HB VAL 45 -9.284 -0.382 2.329 359 1HG1 VAL 45 3HG1 VAL 45 -8.826 1.128 4.906 360 2HG1 VAL 45 2HG1 VAL 45 -8.180 1.612 3.338 361 3HG1 VAL 45 1HG1 VAL 45 -9.924 1.568 3.598 362 1HG2 VAL 45 2HG2 VAL 45 -7.459 -1.141 4.614 363 2HG2 VAL 45 1HG2 VAL 45 -7.612 -1.940 3.047 364 3HG2 VAL 45 3HG2 VAL 45 -6.887 -0.334 3.153 365 H GLU 46 H GLU 46 -10.031 0.433 6.158 366 HA GLU 46 HA GLU 46 -12.872 1.262 5.726 367 1HB GLU 46 2HB GLU 46 -11.286 0.716 8.213 368 2HB GLU 46 1HB GLU 46 -12.557 1.938 8.273 369 1HG GLU 46 2HG GLU 46 -13.427 -0.480 6.888 370 2HG GLU 46 1HG GLU 46 -12.924 -0.809 8.547 371 H TYR 47 H TYR 47 -12.764 3.163 4.682 372 HA TYR 47 HA TYR 47 -10.602 5.070 5.165 373 1HB TYR 47 2HB TYR 47 -13.130 5.334 3.508 374 2HB TYR 47 1HB TYR 47 -11.697 6.361 3.395 375 HD1 TYR 47 HD2 TYR 47 -9.469 4.495 3.576 376 HD2 TYR 47 HD1 TYR 47 -13.228 4.055 1.542 377 HE1 TYR 47 HE2 TYR 47 -8.425 2.883 1.998 378 HE2 TYR 47 HE1 TYR 47 -12.181 2.447 -0.033 379 HH TYR 47 HH TYR 47 -9.994 1.863 -0.865 380 HA PRO 48 HA PRO 48 -10.849 7.478 4.494 381 1HB PRO 48 2HB PRO 48 -9.677 9.396 6.077 382 2HB PRO 48 1HB PRO 48 -11.171 9.646 5.151 383 1HG PRO 48 2HG PRO 48 -10.828 9.184 8.086 384 2HG PRO 48 1HG PRO 48 -12.084 10.098 7.230 385 1HD PRO 48 2HD PRO 48 -12.411 7.517 8.273 386 2HD PRO 48 1HD PRO 48 -13.444 8.253 7.026 387 H LEU 49 H LEU 49 -8.803 6.777 4.106 388 HA LEU 49 HA LEU 49 -7.320 5.538 6.383 389 1HB LEU 49 2HB LEU 49 -7.687 3.800 4.880 390 2HB LEU 49 1HB LEU 49 -7.653 4.870 3.481 391 HG LEU 49 HG LEU 49 -5.141 5.154 3.944 392 1HD1 LEU 49 3HD1 LEU 49 -5.854 3.626 6.219 393 2HD1 LEU 49 2HD1 LEU 49 -4.909 2.555 5.186 394 3HD1 LEU 49 1HD1 LEU 49 -4.229 4.092 5.718 395 1HD2 LEU 49 3HD2 LEU 49 -6.637 3.075 2.655 396 2HD2 LEU 49 2HD2 LEU 49 -5.074 3.758 2.194 397 3HD2 LEU 49 1HD2 LEU 49 -5.149 2.393 3.311 398 H VAL 50 H VAL 50 -4.920 5.734 6.247 399 HA VAL 50 HA VAL 50 -4.087 8.224 4.814 400 HB VAL 50 HB VAL 50 -3.836 7.458 7.672 401 1HG1 VAL 50 2HG1 VAL 50 -1.514 8.498 6.062 402 2HG1 VAL 50 1HG1 VAL 50 -1.725 9.011 7.736 403 3HG1 VAL 50 3HG1 VAL 50 -1.516 7.301 7.356 404 1HG2 VAL 50 3HG2 VAL 50 -5.074 9.441 6.486 405 2HG2 VAL 50 2HG2 VAL 50 -4.223 9.737 8.001 406 3HG2 VAL 50 1HG2 VAL 50 -3.474 10.184 6.467 407 H LEU 51 H LEU 51 -2.986 7.240 3.095 408 HA LEU 51 HA LEU 51 -1.141 5.001 3.637 409 1HB LEU 51 2HB LEU 51 -2.477 5.189 1.484 410 2HB LEU 51 1HB LEU 51 -1.457 6.573 1.069 411 HG LEU 51 HG LEU 51 0.544 5.006 1.461 412 1HD1 LEU 51 3HD1 LEU 51 -1.759 3.122 1.600 413 2HD1 LEU 51 2HD1 LEU 51 -0.257 2.577 0.835 414 3HD1 LEU 51 1HD1 LEU 51 -0.250 3.118 2.525 415 1HD2 LEU 51 3HD2 LEU 51 -1.412 4.640 -0.798 416 2HD2 LEU 51 2HD2 LEU 51 0.042 5.645 -0.769 417 3HD2 LEU 51 1HD2 LEU 51 0.183 3.887 -0.792 418 H GLU 52 H GLU 52 -0.007 6.632 5.212 419 HA GLU 52 HA GLU 52 1.558 8.766 4.094 420 1HB GLU 52 2HB GLU 52 1.246 8.751 6.471 421 2HB GLU 52 1HB GLU 52 1.866 7.105 6.606 422 1HG GLU 52 2HG GLU 52 4.027 7.796 6.598 423 2HG GLU 52 1HG GLU 52 3.738 8.971 5.315 424 H TRP 53 H TRP 53 2.473 7.764 2.136 425 HA TRP 53 HA TRP 53 4.239 5.475 2.490 426 1HB TRP 53 2HB TRP 53 2.891 6.197 0.339 427 2HB TRP 53 1HB TRP 53 4.340 7.159 0.021 428 HD1 TRP 53 HD1 TRP 53 6.697 5.491 0.691 429 HE1 TRP 53 HE1 TRP 53 7.185 3.182 -0.340 430 HE3 TRP 53 HE3 TRP 53 2.021 4.237 -0.813 431 HZ2 TRP 53 HZ2 TRP 53 5.740 1.065 -1.634 432 HZ3 TRP 53 HZ3 TRP 53 1.571 2.083 -1.932 433 HH2 TRP 53 HH2 TRP 53 3.432 0.480 -2.338 434 H ARG 54 H ARG 54 5.920 6.057 3.822 435 HA ARG 54 HA ARG 54 7.296 8.580 3.715 436 1HB ARG 54 2HB ARG 54 8.696 6.078 4.591 437 2HB ARG 54 1HB ARG 54 8.753 7.688 5.302 438 1HG ARG 54 2HG ARG 54 6.054 6.886 5.462 439 2HG ARG 54 1HG ARG 54 7.000 5.481 5.957 440 1HD ARG 54 2HD ARG 54 7.759 8.171 7.037 441 2HD ARG 54 1HD ARG 54 6.346 7.360 7.713 442 HE ARG 54 HE ARG 54 8.726 5.662 7.568 443 1HH1 ARG 54 1HH2 ARG 54 7.246 4.773 9.677 444 2HH1 ARG 54 2HH2 ARG 54 7.721 5.685 11.070 445 1HH2 ARG 54 2HH1 ARG 54 9.197 8.227 9.233 446 2HH2 ARG 54 1HH1 ARG 54 8.824 7.640 10.819 447 H GLN 55 H GLN 55 10.032 7.131 3.597 448 HA GLN 55 HA GLN 55 10.919 7.911 1.103 449 1HB GLN 55 2HB GLN 55 11.906 6.243 3.187 450 2HB GLN 55 1HB GLN 55 12.158 5.384 1.667 451 1HG GLN 55 2HG GLN 55 13.848 6.762 1.118 452 2HG GLN 55 1HG GLN 55 12.806 8.171 1.317 453 1HE2 GLN 55 2HE2 GLN 55 14.862 9.085 4.045 454 2HE2 GLN 55 1HE2 GLN 55 14.277 9.502 2.506 455 H PHE 56 H PHE 56 9.469 7.536 -0.592 456 HA PHE 56 HA PHE 56 8.386 4.876 -1.104 457 1HB PHE 56 2HB PHE 56 7.121 6.884 -1.732 458 2HB PHE 56 1HB PHE 56 8.421 7.380 -2.815 459 HD1 PHE 56 HD2 PHE 56 8.907 6.104 -4.874 460 HD2 PHE 56 HD1 PHE 56 5.613 5.081 -2.316 461 HE1 PHE 56 HE2 PHE 56 7.942 4.710 -6.674 462 HE2 PHE 56 HE1 PHE 56 4.648 3.688 -4.117 463 HZ PHE 56 HZ PHE 56 5.811 3.501 -6.299 464 H GLU 57 H GLU 57 11.380 6.325 -1.665 465 HA GLU 57 HA GLU 57 12.004 5.237 -4.258 466 1HB GLU 57 2HB GLU 57 13.358 6.730 -2.202 467 2HB GLU 57 1HB GLU 57 14.380 5.387 -2.716 468 1HG GLU 57 2HG GLU 57 14.897 7.178 -4.202 469 2HG GLU 57 1HG GLU 57 13.850 6.094 -5.119 470 H GLN 58 H GLN 58 13.646 4.221 -1.271 471 HA GLN 58 HA GLN 58 14.425 1.693 -2.149 472 1HB GLN 58 2HB GLN 58 14.102 1.099 0.421 473 2HB GLN 58 1HB GLN 58 15.365 2.213 -0.102 474 1HG GLN 58 2HG GLN 58 14.107 4.118 0.533 475 2HG GLN 58 1HG GLN 58 12.607 3.195 0.634 476 1HE2 GLN 58 2HE2 GLN 58 15.071 1.900 3.583 477 2HE2 GLN 58 1HE2 GLN 58 15.440 1.643 1.947 478 H SER 59 H SER 59 13.543 -0.408 -1.930 479 HA SER 59 HA SER 59 11.854 -2.041 -1.627 480 1HB SER 59 2HB SER 59 9.741 0.015 -1.142 481 2HB SER 59 1HB SER 59 9.948 -1.579 -0.413 482 HG SER 59 HG SER 59 10.555 0.619 0.709 483 H LYS 60 H LYS 60 11.363 0.889 -3.480 484 HA LYS 60 HA LYS 60 9.311 -0.281 -5.198 485 1HB LYS 60 2HB LYS 60 9.347 2.123 -4.819 486 2HB LYS 60 1HB LYS 60 10.995 2.221 -5.454 487 1HG LYS 60 2HG LYS 60 9.732 0.961 -7.518 488 2HG LYS 60 1HG LYS 60 8.423 1.970 -6.903 489 1HD LYS 60 2HD LYS 60 9.430 3.901 -7.562 490 2HD LYS 60 1HD LYS 60 11.037 3.331 -7.109 491 1HE LYS 60 2HE LYS 60 10.609 1.696 -9.189 492 2HE LYS 60 1HE LYS 60 9.579 3.035 -9.693 493 1HZ LYS 60 2HZ LYS 60 11.592 4.477 -9.115 494 2HZ LYS 60 1HZ LYS 60 12.485 3.033 -9.183 495 3HZ LYS 60 3HZ LYS 60 11.646 3.574 -10.554 496 H GLN 61 H GLN 61 12.743 0.634 -5.633 497 HA GLN 61 HA GLN 61 12.847 -0.671 -8.254 498 1HB GLN 61 2HB GLN 61 15.033 0.446 -6.481 499 2HB GLN 61 1HB GLN 61 15.259 -0.087 -8.148 500 1HG GLN 61 2HG GLN 61 13.948 1.667 -9.019 501 2HG GLN 61 1HG GLN 61 13.179 1.983 -7.463 502 1HE2 GLN 61 2HE2 GLN 61 16.717 3.767 -8.359 503 2HE2 GLN 61 1HE2 GLN 61 15.981 2.688 -9.443 504 H LEU 62 H LEU 62 13.183 -1.580 -5.023 505 HA LEU 62 HA LEU 62 15.065 -3.742 -5.320 506 1HB LEU 62 2HB LEU 62 12.967 -3.090 -3.236 507 2HB LEU 62 1HB LEU 62 14.048 -4.480 -3.105 508 HG LEU 62 HG LEU 62 15.994 -3.063 -3.040 509 1HD1 LEU 62 3HD1 LEU 62 14.073 -0.791 -3.661 510 2HD1 LEU 62 2HD1 LEU 62 15.747 -0.562 -3.160 511 3HD1 LEU 62 1HD1 LEU 62 15.390 -1.374 -4.683 512 1HD2 LEU 62 1HD2 LEU 62 13.692 -2.163 -1.320 513 2HD2 LEU 62 3HD2 LEU 62 15.061 -3.186 -0.878 514 3HD2 LEU 62 2HD2 LEU 62 15.295 -1.455 -1.128 515 H THR 63 H THR 63 11.955 -3.330 -6.468 516 HA THR 63 HA THR 63 11.636 -6.276 -6.787 517 HB THR 63 HB THR 63 10.092 -5.443 -5.025 518 HG1 THR 63 HG1 THR 63 8.108 -5.988 -6.459 519 1HG2 THR 63 2HG2 THR 63 9.536 -3.450 -7.137 520 2HG2 THR 63 1HG2 THR 63 8.129 -4.044 -6.254 521 3HG2 THR 63 3HG2 THR 63 9.462 -3.284 -5.384 522 H GLU 64 H GLU 64 8.951 -5.092 -8.170 523 HA GLU 64 HA GLU 64 10.210 -3.968 -10.585 524 1HB GLU 64 2HB GLU 64 9.092 -5.664 -12.034 525 2HB GLU 64 1HB GLU 64 10.322 -6.382 -10.993 526 1HG GLU 64 2HG GLU 64 8.776 -7.751 -10.106 527 2HG GLU 64 1HG GLU 64 7.859 -6.352 -9.548 528 H ASN 65 H ASN 65 8.829 -2.260 -9.392 529 HA ASN 65 HA ASN 65 6.965 -0.836 -9.717 530 1HB ASN 65 2HB ASN 65 6.828 -2.142 -11.971 531 2HB ASN 65 1HB ASN 65 5.551 -3.059 -11.172 532 1HD2 ASN 65 2HD2 ASN 65 3.860 -0.202 -12.821 533 2HD2 ASN 65 1HD2 ASN 65 4.687 -1.598 -13.318 534 H GLY 66 H GLY 66 7.338 -3.182 -7.722 535 1HA GLY 66 2HA GLY 66 4.707 -4.093 -7.006 536 2HA GLY 66 1HA GLY 66 6.117 -4.105 -5.943 537 H ALA 67 H ALA 67 6.763 -1.751 -5.225 538 HA ALA 67 HA ALA 67 4.644 -0.690 -3.655 539 1HB ALA 67 3HB ALA 67 7.260 0.528 -4.576 540 2HB ALA 67 2HB ALA 67 6.170 1.337 -3.449 541 3HB ALA 67 1HB ALA 67 6.907 -0.204 -3.012 542 H GLU 68 H GLU 68 5.951 0.399 -6.793 543 HA GLU 68 HA GLU 68 4.354 2.697 -7.097 544 1HB GLU 68 2HB GLU 68 5.722 0.817 -8.970 545 2HB GLU 68 1HB GLU 68 4.551 1.948 -9.646 546 1HG GLU 68 2HG GLU 68 5.779 3.787 -8.384 547 2HG GLU 68 1HG GLU 68 7.043 2.599 -8.060 548 H SER 69 H SER 69 3.532 -0.676 -7.345 549 HA SER 69 HA SER 69 1.015 -0.141 -8.750 550 1HB SER 69 2HB SER 69 0.844 -2.412 -8.987 551 2HB SER 69 1HB SER 69 2.566 -2.349 -8.632 552 HG SER 69 HG SER 69 0.406 -2.913 -6.892 553 H VAL 70 H VAL 70 1.851 -1.296 -5.426 554 HA VAL 70 HA VAL 70 -0.782 -1.302 -4.447 555 HB VAL 70 HB VAL 70 1.702 -0.371 -2.958 556 1HG1 VAL 70 3HG1 VAL 70 -1.021 -0.213 -2.268 557 2HG1 VAL 70 2HG1 VAL 70 -0.401 -1.602 -1.384 558 3HG1 VAL 70 1HG1 VAL 70 0.357 -0.019 -1.186 559 1HG2 VAL 70 3HG2 VAL 70 1.379 -2.835 -4.012 560 2HG2 VAL 70 2HG2 VAL 70 2.141 -2.584 -2.441 561 3HG2 VAL 70 1HG2 VAL 70 0.443 -3.051 -2.533 562 H LEU 71 H LEU 71 1.415 1.226 -5.268 563 HA LEU 71 HA LEU 71 -0.135 3.256 -3.928 564 1HB LEU 71 2HB LEU 71 2.371 3.357 -4.357 565 2HB LEU 71 1HB LEU 71 1.968 3.717 -6.037 566 HG LEU 71 HG LEU 71 0.870 5.730 -5.454 567 1HD1 LEU 71 1HD1 LEU 71 0.769 4.494 -2.734 568 2HD1 LEU 71 3HD1 LEU 71 0.764 6.257 -2.858 569 3HD1 LEU 71 2HD1 LEU 71 -0.511 5.313 -3.642 570 1HD2 LEU 71 2HD2 LEU 71 3.482 5.450 -5.056 571 2HD2 LEU 71 1HD2 LEU 71 2.664 6.968 -4.682 572 3HD2 LEU 71 3HD2 LEU 71 3.028 5.822 -3.392 573 H GLN 72 H GLN 72 0.269 2.158 -7.299 574 HA GLN 72 HA GLN 72 -1.354 4.183 -8.468 575 1HB GLN 72 2HB GLN 72 -0.519 1.432 -9.219 576 2HB GLN 72 1HB GLN 72 -1.962 2.051 -10.025 577 1HG GLN 72 2HG GLN 72 -0.714 4.069 -10.710 578 2HG GLN 72 1HG GLN 72 0.730 3.446 -9.912 579 1HE2 GLN 72 2HE2 GLN 72 0.625 0.567 -12.379 580 2HE2 GLN 72 1HE2 GLN 72 0.342 0.650 -10.707 581 H VAL 73 H VAL 73 -2.106 1.368 -6.618 582 HA VAL 73 HA VAL 73 -4.976 1.460 -7.203 583 HB VAL 73 HB VAL 73 -3.405 -0.154 -5.178 584 1HG1 VAL 73 1HG1 VAL 73 -5.877 0.258 -4.717 585 2HG1 VAL 73 3HG1 VAL 73 -6.197 -0.618 -6.212 586 3HG1 VAL 73 2HG1 VAL 73 -5.392 -1.431 -4.871 587 1HG2 VAL 73 3HG2 VAL 73 -3.537 -0.293 -7.978 588 2HG2 VAL 73 2HG2 VAL 73 -2.961 -1.563 -6.895 589 3HG2 VAL 73 1HG2 VAL 73 -4.651 -1.543 -7.415 590 H PHE 74 H PHE 74 -2.943 2.095 -4.324 591 HA PHE 74 HA PHE 74 -4.914 2.866 -2.538 592 1HB PHE 74 2HB PHE 74 -2.044 3.466 -2.969 593 2HB PHE 74 1HB PHE 74 -2.921 4.637 -2.003 594 HD1 PHE 74 HD2 PHE 74 -4.673 3.440 -0.272 595 HD2 PHE 74 HD1 PHE 74 -1.031 1.746 -1.795 596 HE1 PHE 74 HE2 PHE 74 -4.600 1.849 1.618 597 HE2 PHE 74 HE1 PHE 74 -0.973 0.166 0.114 598 HZ PHE 74 HZ PHE 74 -2.773 0.230 1.807 599 H ARG 75 H ARG 75 -3.075 4.858 -4.803 600 HA ARG 75 HA ARG 75 -4.597 7.250 -4.506 601 1HB ARG 75 2HB ARG 75 -2.708 6.159 -6.552 602 2HB ARG 75 1HB ARG 75 -3.709 7.539 -7.003 603 1HG ARG 75 2HG ARG 75 -2.926 8.669 -4.870 604 2HG ARG 75 1HG ARG 75 -1.760 7.356 -4.695 605 1HD ARG 75 2HD ARG 75 -0.383 8.585 -6.000 606 2HD ARG 75 1HD ARG 75 -1.445 8.153 -7.340 607 HE ARG 75 HE ARG 75 -1.475 10.731 -5.874 608 1HH1 ARG 75 2HH1 ARG 75 -4.255 9.804 -6.590 609 2HH1 ARG 75 1HH1 ARG 75 -4.469 10.512 -8.156 610 1HH2 ARG 75 1HH2 ARG 75 -1.092 11.139 -8.628 611 2HH2 ARG 75 2HH2 ARG 75 -2.680 11.268 -9.310 612 H GLU 76 H GLU 76 -4.923 4.481 -6.788 613 HA GLU 76 HA GLU 76 -6.996 5.565 -8.388 614 1HB GLU 76 2HB GLU 76 -6.091 2.843 -7.646 615 2HB GLU 76 1HB GLU 76 -7.746 2.967 -8.242 616 1HG GLU 76 2HG GLU 76 -7.093 3.667 -10.332 617 2HG GLU 76 1HG GLU 76 -5.623 4.434 -9.731 618 H ALA 77 H ALA 77 -7.079 4.316 -5.130 619 HA ALA 77 HA ALA 77 -10.000 4.158 -5.028 620 1HB ALA 77 2HB ALA 77 -7.861 3.175 -3.471 621 2HB ALA 77 1HB ALA 77 -8.710 4.325 -2.440 622 3HB ALA 77 3HB ALA 77 -9.586 2.972 -3.150 623 H LYS 78 H LYS 78 -7.517 6.277 -3.528 624 HA LYS 78 HA LYS 78 -9.379 8.127 -2.432 625 1HB LYS 78 2HB LYS 78 -7.499 9.437 -1.971 626 2HB LYS 78 1HB LYS 78 -6.807 7.826 -2.059 627 1HG LYS 78 2HG LYS 78 -5.370 8.682 -3.578 628 2HG LYS 78 1HG LYS 78 -6.735 8.695 -4.696 629 1HD LYS 78 2HD LYS 78 -5.961 10.920 -4.758 630 2HD LYS 78 1HD LYS 78 -7.312 10.989 -3.627 631 1HE LYS 78 2HE LYS 78 -5.521 10.523 -1.801 632 2HE LYS 78 1HE LYS 78 -4.357 11.019 -3.031 633 1HZ LYS 78 2HZ LYS 78 -6.704 12.641 -2.214 634 2HZ LYS 78 1HZ LYS 78 -5.141 12.850 -1.582 635 3HZ LYS 78 3HZ LYS 78 -5.431 13.121 -3.232 636 H ALA 79 H ALA 79 -8.540 7.440 -5.649 637 HA ALA 79 HA ALA 79 -9.157 10.125 -6.704 638 1HB ALA 79 3HB ALA 79 -7.580 8.036 -7.601 639 2HB ALA 79 2HB ALA 79 -9.033 7.870 -8.590 640 3HB ALA 79 1HB ALA 79 -8.127 9.388 -8.597 641 H GLU 80 H GLU 80 -10.283 6.897 -7.618 642 HA GLU 80 HA GLU 80 -12.666 7.627 -8.841 643 1HB GLU 80 2HB GLU 80 -12.318 5.140 -7.157 644 2HB GLU 80 1HB GLU 80 -13.341 5.350 -8.576 645 1HG GLU 80 2HG GLU 80 -10.642 6.074 -9.245 646 2HG GLU 80 1HG GLU 80 -10.658 4.465 -8.523 647 H GLY 81 H GLY 81 -12.479 6.409 -5.447 648 1HA GLY 81 2HA GLY 81 -14.425 8.455 -4.637 649 2HA GLY 81 1HA GLY 81 -15.072 6.814 -4.643 650 H ALA 82 H ALA 82 -12.576 5.554 -3.805 651 HA ALA 82 HA ALA 82 -12.846 5.302 -1.099 652 1HB ALA 82 1HB ALA 82 -10.920 4.552 -2.939 653 2HB ALA 82 3HB ALA 82 -10.009 5.525 -1.781 654 3HB ALA 82 2HB ALA 82 -10.925 4.121 -1.229 655 H ASP 83 H ASP 83 -12.003 6.325 0.770 656 HA ASP 83 HA ASP 83 -11.271 9.189 0.359 657 1HB ASP 83 2HB ASP 83 -12.731 7.695 2.509 658 2HB ASP 83 1HB ASP 83 -11.826 9.140 2.961 659 H ILE 84 H ILE 84 -9.144 7.806 -0.161 660 HA ILE 84 HA ILE 84 -7.654 7.342 2.374 661 HB ILE 84 HB ILE 84 -7.117 6.503 -0.485 662 1HG1 ILE 84 2HG1 ILE 84 -7.238 4.553 1.710 663 2HG1 ILE 84 1HG1 ILE 84 -8.755 5.401 1.408 664 1HG2 ILE 84 2HG2 ILE 84 -5.043 7.105 0.881 665 2HG2 ILE 84 1HG2 ILE 84 -5.507 5.804 1.982 666 3HG2 ILE 84 3HG2 ILE 84 -5.109 5.440 0.301 667 1HD1 ILE 84 2HD1 ILE 84 -7.353 4.515 -1.027 668 2HD1 ILE 84 1HD1 ILE 84 -7.910 3.203 0.011 669 3HD1 ILE 84 3HD1 ILE 84 -9.060 4.391 -0.601 670 H THR 85 H THR 85 -5.554 8.279 2.621 671 HA THR 85 HA THR 85 -5.136 10.740 0.982 672 HB THR 85 HB THR 85 -3.900 10.322 3.693 673 HG1 THR 85 HG1 THR 85 -5.723 10.810 4.680 674 1HG2 THR 85 1HG2 THR 85 -3.642 12.294 1.863 675 2HG2 THR 85 3HG2 THR 85 -5.028 12.906 2.764 676 3HG2 THR 85 2HG2 THR 85 -3.511 12.574 3.599 677 H ILE 86 H ILE 86 -3.771 9.882 -0.591 678 HA ILE 86 HA ILE 86 -1.580 8.114 0.176 679 HB ILE 86 HB ILE 86 -2.828 9.042 -2.325 680 1HG1 ILE 86 2HG1 ILE 86 -2.539 6.758 -2.941 681 2HG1 ILE 86 1HG1 ILE 86 -1.242 6.529 -1.774 682 1HG2 ILE 86 1HG2 ILE 86 -0.509 9.962 -2.581 683 2HG2 ILE 86 3HG2 ILE 86 0.122 8.335 -2.327 684 3HG2 ILE 86 2HG2 ILE 86 -0.876 8.684 -3.737 685 1HD1 ILE 86 1HD1 ILE 86 -3.479 7.397 -0.272 686 2HD1 ILE 86 3HD1 ILE 86 -4.090 6.199 -1.409 687 3HD1 ILE 86 2HD1 ILE 86 -2.781 5.775 -0.305 688 H ILE 87 H ILE 87 0.281 8.835 0.981 689 HA ILE 87 HA ILE 87 1.137 11.611 0.230 690 HB ILE 87 HB ILE 87 1.505 10.058 2.798 691 1HG1 ILE 87 2HG1 ILE 87 0.585 12.353 3.631 692 2HG1 ILE 87 1HG1 ILE 87 0.095 12.583 1.952 693 1HG2 ILE 87 2HG2 ILE 87 3.631 11.190 2.071 694 2HG2 ILE 87 1HG2 ILE 87 2.755 12.721 2.071 695 3HG2 ILE 87 3HG2 ILE 87 2.967 11.826 3.576 696 1HD1 ILE 87 3HD1 ILE 87 -0.597 10.059 3.454 697 2HD1 ILE 87 2HD1 ILE 87 -1.619 11.493 3.548 698 3HD1 ILE 87 1HD1 ILE 87 -1.345 10.707 1.994 699 H LEU 88 H LEU 88 3.032 11.738 -0.870 700 HA LEU 88 HA LEU 88 4.960 9.470 -0.619 701 1HB LEU 88 2HB LEU 88 4.525 10.883 -3.243 702 2HB LEU 88 1HB LEU 88 5.235 9.296 -2.946 703 HG LEU 88 HG LEU 88 2.343 9.899 -2.307 704 1HD1 LEU 88 2HD1 LEU 88 3.532 8.811 -4.877 705 2HD1 LEU 88 1HD1 LEU 88 1.814 8.794 -4.480 706 3HD1 LEU 88 3HD1 LEU 88 2.655 10.329 -4.693 707 1HD2 LEU 88 3HD2 LEU 88 4.007 7.397 -2.696 708 2HD2 LEU 88 2HD2 LEU 88 3.169 7.915 -1.233 709 3HD2 LEU 88 1HD2 LEU 88 2.244 7.373 -2.633 710 H SER 89 HN SER 89 5.595 11.439 0.939 711 HA SER 89 HA SER 89 6.710 13.823 -0.054 712 1HB SER 89 2HB SER 89 6.458 13.054 2.392 713 2HB SER 89 1HB SER 89 7.998 12.225 2.163 714 HG SER 89 HG SER 89 8.498 14.236 2.892 No H/Q in entry = 714 Start of MODEL 28 1 1H LYS 1 2H LYS 1 -8.479 5.803 8.935 2 2H LYS 1 1H LYS 1 -8.532 4.766 7.591 3 3H LYS 1 3H LYS 1 -9.357 4.351 9.014 4 HA LYS 1 HA LYS 1 -7.337 4.028 10.205 5 1HB LYS 1 2HB LYS 1 -7.631 2.725 7.517 6 2HB LYS 1 1HB LYS 1 -6.209 2.361 8.495 7 1HG LYS 1 2HG LYS 1 -7.878 1.935 10.421 8 2HG LYS 1 1HG LYS 1 -9.112 1.883 9.163 9 1HD LYS 1 2HD LYS 1 -7.875 0.097 8.005 10 2HD LYS 1 1HD LYS 1 -6.620 0.156 9.244 11 1HE LYS 1 2HE LYS 1 -9.498 -0.302 10.004 12 2HE LYS 1 1HE LYS 1 -8.487 -1.644 9.469 13 1HZ LYS 1 2HZ LYS 1 -6.839 -0.849 11.183 14 2HZ LYS 1 1HZ LYS 1 -8.082 0.128 11.803 15 3HZ LYS 1 3HZ LYS 1 -8.260 -1.559 11.786 16 H LYS 2 H LYS 2 -4.855 3.689 9.769 17 HA LYS 2 HA LYS 2 -3.836 5.836 7.968 18 1HB LYS 2 2HB LYS 2 -3.820 6.946 10.063 19 2HB LYS 2 1HB LYS 2 -3.296 5.498 10.921 20 1HG LYS 2 2HG LYS 2 -1.106 5.871 10.449 21 2HG LYS 2 1HG LYS 2 -1.453 6.357 8.790 22 1HD LYS 2 2HD LYS 2 -2.482 8.492 9.989 23 2HD LYS 2 1HD LYS 2 -1.370 8.022 11.275 24 1HE LYS 2 2HE LYS 2 -0.331 8.085 8.472 25 2HE LYS 2 1HE LYS 2 -0.581 9.622 9.299 26 1HZ LYS 2 3HZ LYS 2 0.992 7.349 10.383 27 2HZ LYS 2 2HZ LYS 2 1.659 8.720 9.633 28 3HZ LYS 2 1HZ LYS 2 0.810 8.876 11.096 29 H ALA 3 H ALA 3 -2.844 4.442 6.524 30 HA ALA 3 HA ALA 3 -1.131 2.267 7.573 31 1HB ALA 3 3HB ALA 3 -2.570 2.778 5.110 32 2HB ALA 3 2HB ALA 3 -0.874 2.434 4.767 33 3HB ALA 3 1HB ALA 3 -1.845 1.274 5.676 34 H VAL 4 H VAL 4 1.117 2.343 7.443 35 HA VAL 4 HA VAL 4 2.272 4.824 6.246 36 HB VAL 4 HB VAL 4 3.150 3.467 8.814 37 1HG1 VAL 4 1HG1 VAL 4 4.802 4.754 7.174 38 2HG1 VAL 4 3HG1 VAL 4 4.065 6.172 7.918 39 3HG1 VAL 4 2HG1 VAL 4 4.899 4.983 8.920 40 1HG2 VAL 4 3HG2 VAL 4 0.979 4.759 8.909 41 2HG2 VAL 4 2HG2 VAL 4 2.253 5.407 9.944 42 3HG2 VAL 4 1HG2 VAL 4 1.880 6.191 8.409 43 H ILE 5 H ILE 5 3.739 4.373 4.725 44 HA ILE 5 HA ILE 5 4.838 1.629 4.526 45 HB ILE 5 HB ILE 5 5.252 3.907 2.582 46 1HG1 ILE 5 2HG1 ILE 5 2.768 3.369 3.273 47 2HG1 ILE 5 1HG1 ILE 5 3.178 3.538 1.578 48 1HG2 ILE 5 3HG2 ILE 5 5.819 1.038 2.670 49 2HG2 ILE 5 2HG2 ILE 5 4.949 1.516 1.211 50 3HG2 ILE 5 1HG2 ILE 5 6.484 2.286 1.614 51 1HD1 ILE 5 3HD1 ILE 5 3.572 0.807 2.519 52 2HD1 ILE 5 2HD1 ILE 5 1.913 1.358 2.740 53 3HD1 ILE 5 1HD1 ILE 5 2.648 1.398 1.136 54 H ASN 6 H ASN 6 6.713 1.334 5.606 55 HA ASN 6 HA ASN 6 8.598 3.636 5.778 56 1HB ASN 6 2HB ASN 6 8.963 1.191 7.452 57 2HB ASN 6 1HB ASN 6 9.282 2.878 7.852 58 1HD2 ASN 6 2HD2 ASN 6 6.317 2.935 9.717 59 2HD2 ASN 6 1HD2 ASN 6 7.981 3.257 9.637 60 H GLY 7 H GLY 7 9.706 3.323 3.821 61 1HA GLY 7 2HA GLY 7 10.573 0.742 2.903 62 2HA GLY 7 1HA GLY 7 11.182 2.295 2.315 63 H GLU 8 H GLU 8 11.594 2.653 5.477 64 HA GLU 8 HA GLU 8 14.412 2.025 5.341 65 1HB GLU 8 2HB GLU 8 14.289 2.725 7.845 66 2HB GLU 8 1HB GLU 8 14.025 3.952 6.604 67 1HG GLU 8 2HG GLU 8 11.841 4.179 7.121 68 2HG GLU 8 1HG GLU 8 11.626 2.444 7.333 69 H GLN 9 H GLN 9 11.635 0.341 6.268 70 HA GLN 9 HA GLN 9 13.294 -1.670 7.724 71 1HB GLN 9 2HB GLN 9 11.248 -0.367 8.853 72 2HB GLN 9 1HB GLN 9 10.330 -1.639 8.044 73 1HG GLN 9 2HG GLN 9 12.222 -3.187 9.100 74 2HG GLN 9 1HG GLN 9 12.329 -1.858 10.257 75 1HE2 GLN 9 2HE2 GLN 9 9.678 -3.456 11.984 76 2HE2 GLN 9 1HE2 GLN 9 11.313 -3.000 12.020 77 H ILE 10 H ILE 10 11.133 -1.046 5.128 78 HA ILE 10 HA ILE 10 10.355 -3.780 4.604 79 HB ILE 10 HB ILE 10 10.503 -1.401 2.729 80 1HG1 ILE 10 2HG1 ILE 10 9.008 -1.130 4.723 81 2HG1 ILE 10 1HG1 ILE 10 8.121 -1.153 3.200 82 1HG2 ILE 10 2HG2 ILE 10 9.438 -4.200 2.461 83 2HG2 ILE 10 1HG2 ILE 10 8.644 -2.879 1.601 84 3HG2 ILE 10 3HG2 ILE 10 10.344 -3.236 1.293 85 1HD1 ILE 10 2HD1 ILE 10 8.150 -3.803 3.790 86 2HD1 ILE 10 1HD1 ILE 10 8.132 -3.121 5.414 87 3HD1 ILE 10 3HD1 ILE 10 6.850 -2.717 4.273 88 H ARG 11 H ARG 11 12.001 -5.223 4.344 89 HA ARG 11 HA ARG 11 14.530 -4.559 3.073 90 1HB ARG 11 2HB ARG 11 13.706 -7.408 3.074 91 2HB ARG 11 1HB ARG 11 15.191 -6.667 3.677 92 1HG ARG 11 2HG ARG 11 13.767 -5.743 5.594 93 2HG ARG 11 1HG ARG 11 12.513 -6.861 5.050 94 1HD ARG 11 2HD ARG 11 14.102 -8.746 5.300 95 2HD ARG 11 1HD ARG 11 15.330 -7.623 5.882 96 HE ARG 11 HE ARG 11 12.873 -7.474 7.431 97 1HH1 ARG 11 1HH2 ARG 11 16.124 -7.785 7.733 98 2HH1 ARG 11 2HH2 ARG 11 16.109 -8.979 8.988 99 1HH2 ARG 11 2HH1 ARG 11 12.712 -9.614 8.707 100 2HH2 ARG 11 1HH1 ARG 11 14.177 -10.014 9.539 101 H SER 12 H SER 12 11.602 -6.280 2.096 102 HA SER 12 HA SER 12 12.316 -5.722 -0.742 103 1HB SER 12 2HB SER 12 11.899 -7.976 -1.438 104 2HB SER 12 1HB SER 12 13.002 -8.085 -0.069 105 HG SER 12 HG SER 12 10.898 -8.216 1.174 106 H ILE 13 H ILE 13 10.429 -5.841 -2.169 107 HA ILE 13 HA ILE 13 8.173 -4.477 -1.367 108 HB ILE 13 HB ILE 13 8.752 -5.149 -3.703 109 1HG1 ILE 13 2HG1 ILE 13 6.406 -4.363 -2.827 110 2HG1 ILE 13 1HG1 ILE 13 6.557 -4.983 -4.464 111 1HG2 ILE 13 3HG2 ILE 13 7.715 -7.800 -2.705 112 2HG2 ILE 13 2HG2 ILE 13 7.774 -7.397 -4.421 113 3HG2 ILE 13 1HG2 ILE 13 9.263 -7.455 -3.477 114 1HD1 ILE 13 1HD1 ILE 13 5.961 -7.286 -3.420 115 2HD1 ILE 13 3HD1 ILE 13 5.400 -6.340 -2.046 116 3HD1 ILE 13 2HD1 ILE 13 4.680 -6.105 -3.634 117 H SER 14 H SER 14 8.841 -7.901 -0.894 118 HA SER 14 HA SER 14 6.291 -8.855 -0.215 119 1HB SER 14 2HB SER 14 8.558 -10.105 -0.280 120 2HB SER 14 1HB SER 14 8.736 -9.585 1.394 121 HG SER 14 HG SER 14 6.687 -11.174 0.242 122 H ASP 15 H ASP 15 8.686 -7.431 2.051 123 HA ASP 15 HA ASP 15 6.925 -7.403 4.288 124 1HB ASP 15 2HB ASP 15 9.566 -6.356 3.592 125 2HB ASP 15 1HB ASP 15 8.691 -5.318 4.709 126 H LEU 16 H LEU 16 7.144 -5.378 1.531 127 HA LEU 16 HA LEU 16 5.978 -2.983 2.642 128 1HB LEU 16 2HB LEU 16 7.157 -3.000 0.470 129 2HB LEU 16 1HB LEU 16 5.927 -4.063 -0.195 130 HG LEU 16 HG LEU 16 4.608 -2.311 -0.708 131 1HD1 LEU 16 3HD1 LEU 16 5.011 -1.496 2.172 132 2HD1 LEU 16 2HD1 LEU 16 4.153 -0.455 1.035 133 3HD1 LEU 16 1HD1 LEU 16 3.540 -2.070 1.383 134 1HD2 LEU 16 2HD2 LEU 16 7.220 -1.172 -0.080 135 2HD2 LEU 16 1HD2 LEU 16 6.164 -0.871 -1.461 136 3HD2 LEU 16 3HD2 LEU 16 5.914 0.007 0.049 137 H HIS 17 H HIS 17 4.551 -5.440 0.496 138 HA HIS 17 HA HIS 17 1.860 -4.652 0.957 139 1HB HIS 17 2HB HIS 17 3.019 -7.322 0.122 140 2HB HIS 17 1HB HIS 17 1.296 -6.926 0.065 141 HD1 HIS 17 HD1 HIS 17 0.742 -6.430 -2.328 142 HD2 HIS 17 HD2 HIS 17 4.387 -4.739 -1.215 143 HE1 HIS 17 HE1 HIS 17 1.552 -5.081 -4.315 144 H GLN 18 H GLN 18 4.067 -6.286 2.957 145 HA GLN 18 HA GLN 18 2.045 -7.656 4.577 146 1HB GLN 18 2HB GLN 18 5.006 -7.138 4.930 147 2HB GLN 18 1HB GLN 18 4.032 -7.907 6.184 148 1HG GLN 18 2HG GLN 18 3.302 -9.595 4.436 149 2HG GLN 18 1HG GLN 18 4.524 -8.907 3.369 150 1HE2 GLN 18 1HE2 GLN 18 4.848 -11.578 4.085 151 2HE2 GLN 18 2HE2 GLN 18 6.130 -11.737 5.187 152 H THR 19 H THR 19 3.883 -4.718 4.570 153 HA THR 19 HA THR 19 3.055 -3.747 7.152 154 HB THR 19 HB THR 19 4.345 -2.559 4.718 155 HG1 THR 19 HG1 THR 19 4.933 -2.772 7.475 156 1HG2 THR 19 1HG2 THR 19 2.672 -1.083 6.631 157 2HG2 THR 19 3HG2 THR 19 4.313 -0.452 6.491 158 3HG2 THR 19 2HG2 THR 19 3.294 -0.584 5.057 159 H LEU 20 H LEU 20 1.758 -3.658 3.938 160 HA LEU 20 HA LEU 20 -0.399 -1.786 4.636 161 1HB LEU 20 2HB LEU 20 -0.690 -3.560 2.262 162 2HB LEU 20 1HB LEU 20 -1.016 -1.833 2.417 163 HG LEU 20 HG LEU 20 1.718 -3.088 2.297 164 1HD1 LEU 20 3HD1 LEU 20 -0.018 -2.682 0.215 165 2HD1 LEU 20 2HD1 LEU 20 0.925 -1.189 0.225 166 3HD1 LEU 20 1HD1 LEU 20 1.740 -2.745 0.071 167 1HD2 LEU 20 1HD2 LEU 20 1.122 -0.807 3.577 168 2HD2 LEU 20 3HD2 LEU 20 2.619 -0.999 2.663 169 3HD2 LEU 20 2HD2 LEU 20 1.239 -0.178 1.933 170 H LYS 21 H LYS 21 0.191 -5.207 4.434 171 HA LYS 21 HA LYS 21 -2.569 -6.041 4.773 172 1HB LYS 21 2HB LYS 21 -1.040 -7.637 3.837 173 2HB LYS 21 1HB LYS 21 0.092 -7.429 5.176 174 1HG LYS 21 2HG LYS 21 -1.135 -8.752 6.593 175 2HG LYS 21 1HG LYS 21 -2.675 -8.246 5.894 176 1HD LYS 21 2HD LYS 21 -2.653 -9.899 4.317 177 2HD LYS 21 1HD LYS 21 -0.906 -9.803 4.096 178 1HE LYS 21 2HE LYS 21 -1.384 -10.729 6.749 179 2HE LYS 21 1HE LYS 21 -2.394 -11.684 5.663 180 1HZ LYS 21 2HZ LYS 21 0.497 -11.180 5.223 181 2HZ LYS 21 1HZ LYS 21 -0.117 -12.572 5.978 182 3HZ LYS 21 3HZ LYS 21 -0.502 -12.248 4.359 183 H LYS 22 H LYS 22 -0.039 -4.913 6.840 184 HA LYS 22 HA LYS 22 -1.304 -5.960 9.289 185 1HB LYS 22 2HB LYS 22 1.014 -5.965 9.532 186 2HB LYS 22 1HB LYS 22 1.215 -4.464 8.631 187 1HG LYS 22 2HG LYS 22 0.233 -3.200 10.503 188 2HG LYS 22 1HG LYS 22 0.017 -4.699 11.409 189 1HD LYS 22 2HD LYS 22 2.408 -5.069 11.494 190 2HD LYS 22 1HD LYS 22 2.702 -3.708 10.410 191 1HE LYS 22 2HE LYS 22 1.103 -2.925 12.719 192 2HE LYS 22 1HE LYS 22 2.658 -3.604 13.197 193 1HZ LYS 22 1HZ LYS 22 2.453 -1.582 11.054 194 2HZ LYS 22 3HZ LYS 22 2.557 -1.129 12.684 195 3HZ LYS 22 2HZ LYS 22 3.815 -2.022 11.971 196 H GLU 23 H GLU 23 -0.817 -2.811 7.672 197 HA GLU 23 HA GLU 23 -2.160 -1.329 9.770 198 1HB GLU 23 2HB GLU 23 -1.693 -0.513 6.894 199 2HB GLU 23 1HB GLU 23 -2.045 0.563 8.247 200 1HG GLU 23 2HG GLU 23 0.326 -1.282 8.385 201 2HG GLU 23 1HG GLU 23 0.445 0.234 7.491 202 H LEU 24 H LEU 24 -3.078 -2.351 6.537 203 HA LEU 24 HA LEU 24 -5.833 -1.485 6.825 204 1HB LEU 24 2HB LEU 24 -4.758 -3.469 4.812 205 2HB LEU 24 1HB LEU 24 -6.139 -2.386 4.639 206 HG LEU 24 HG LEU 24 -3.368 -1.304 5.121 207 1HD1 LEU 24 1HD1 LEU 24 -4.341 -2.664 2.758 208 2HD1 LEU 24 3HD1 LEU 24 -3.963 -0.975 2.410 209 3HD1 LEU 24 2HD1 LEU 24 -2.731 -2.033 3.105 210 1HD2 LEU 24 3HD2 LEU 24 -6.053 -0.276 4.430 211 2HD2 LEU 24 2HD2 LEU 24 -4.742 0.495 5.320 212 3HD2 LEU 24 1HD2 LEU 24 -4.709 0.461 3.556 213 H ALA 25 H ALA 25 -4.030 -4.404 7.472 214 HA ALA 25 HA ALA 25 -4.708 -6.286 8.719 215 1HB ALA 25 3HB ALA 25 -6.563 -4.375 9.442 216 2HB ALA 25 2HB ALA 25 -7.577 -5.657 8.780 217 3HB ALA 25 1HB ALA 25 -6.475 -6.005 10.111 218 H LEU 26 H LEU 26 -4.409 -6.625 6.059 219 HA LEU 26 HA LEU 26 -6.836 -7.632 4.790 220 1HB LEU 26 2HB LEU 26 -3.986 -8.241 3.951 221 2HB LEU 26 1HB LEU 26 -5.430 -8.188 2.940 222 HG LEU 26 HG LEU 26 -4.370 -5.768 4.412 223 1HD1 LEU 26 2HD1 LEU 26 -3.045 -6.993 2.367 224 2HD1 LEU 26 1HD1 LEU 26 -4.132 -5.934 1.467 225 3HD1 LEU 26 3HD1 LEU 26 -3.015 -5.253 2.650 226 1HD2 LEU 26 2HD2 LEU 26 -6.849 -6.220 3.374 227 2HD2 LEU 26 1HD2 LEU 26 -6.099 -4.625 3.446 228 3HD2 LEU 26 3HD2 LEU 26 -6.021 -5.570 1.958 229 HA PRO 27 HA PRO 27 -6.711 -11.742 6.284 230 1HB PRO 27 2HB PRO 27 -7.442 -13.185 4.062 231 2HB PRO 27 1HB PRO 27 -8.568 -12.190 5.004 232 1HG PRO 27 2HG PRO 27 -7.349 -11.637 2.341 233 2HG PRO 27 1HG PRO 27 -8.882 -11.058 3.013 234 1HD PRO 27 2HD PRO 27 -6.482 -9.585 2.833 235 2HD PRO 27 1HD PRO 27 -7.904 -9.137 3.800 236 H GLU 28 H GLU 28 -6.000 -14.137 5.268 237 HA GLU 28 HA GLU 28 -3.094 -13.928 5.063 238 1HB GLU 28 2HB GLU 28 -4.078 -15.724 6.387 239 2HB GLU 28 1HB GLU 28 -4.965 -16.312 4.978 240 1HG GLU 28 2HG GLU 28 -2.876 -16.834 3.832 241 2HG GLU 28 1HG GLU 28 -1.942 -16.148 5.162 242 H TYR 29 H TYR 29 -5.697 -15.179 2.957 243 HA TYR 29 HA TYR 29 -3.976 -15.904 0.801 244 1HB TYR 29 2HB TYR 29 -6.039 -15.874 -0.577 245 2HB TYR 29 1HB TYR 29 -6.271 -16.734 0.949 246 HD1 TYR 29 HD1 TYR 29 -6.560 -13.259 -0.471 247 HD2 TYR 29 HD2 TYR 29 -8.102 -16.190 2.271 248 HE1 TYR 29 HE1 TYR 29 -8.433 -11.741 0.101 249 HE2 TYR 29 HE2 TYR 29 -9.971 -14.665 2.847 250 HH TYR 29 HH TYR 29 -10.629 -11.797 1.030 251 H TYR 30 H TYR 30 -4.756 -12.849 1.979 252 HA TYR 30 HA TYR 30 -5.162 -11.091 -0.047 253 1HB TYR 30 2HB TYR 30 -4.632 -10.179 2.097 254 2HB TYR 30 1HB TYR 30 -3.042 -10.942 2.108 255 HD1 TYR 30 HD2 TYR 30 -4.823 -9.047 -0.580 256 HD2 TYR 30 HD1 TYR 30 -1.447 -9.209 2.072 257 HE1 TYR 30 HE2 TYR 30 -3.861 -7.045 -1.681 258 HE2 TYR 30 HE1 TYR 30 -0.476 -7.214 0.956 259 HH TYR 30 HH TYR 30 -0.628 -5.876 -0.867 260 H GLY 31 H GLY 31 -4.390 -10.962 -2.072 261 1HA GLY 31 2HA GLY 31 -1.824 -12.218 -2.773 262 2HA GLY 31 1HA GLY 31 -2.952 -11.454 -3.906 263 H GLU 32 H GLU 32 -0.213 -10.988 -1.868 264 HA GLU 32 HA GLU 32 -0.058 -8.222 -1.562 265 1HB GLU 32 2HB GLU 32 2.053 -10.289 -2.166 266 2HB GLU 32 1HB GLU 32 2.465 -8.601 -1.854 267 1HG GLU 32 2HG GLU 32 1.187 -8.770 0.310 268 2HG GLU 32 1HG GLU 32 1.016 -10.500 0.010 269 H ASN 33 H ASN 33 -1.045 -7.201 -3.401 270 HA ASN 33 HA ASN 33 0.773 -6.381 -5.447 271 1HB ASN 33 2HB ASN 33 -0.878 -7.471 -7.287 272 2HB ASN 33 1HB ASN 33 0.600 -8.264 -6.743 273 1HD2 ASN 33 2HD2 ASN 33 -1.115 -10.948 -5.241 274 2HD2 ASN 33 1HD2 ASN 33 0.373 -10.278 -5.708 275 H LEU 34 H LEU 34 -0.851 -5.527 -7.430 276 HA LEU 34 HA LEU 34 -2.464 -3.514 -6.056 277 1HB LEU 34 2HB LEU 34 -2.954 -2.830 -8.512 278 2HB LEU 34 1HB LEU 34 -1.308 -2.640 -7.905 279 HG LEU 34 HG LEU 34 -1.917 -5.291 -9.069 280 1HD1 LEU 34 3HD1 LEU 34 -2.337 -2.763 -10.553 281 2HD1 LEU 34 2HD1 LEU 34 -1.302 -3.944 -11.358 282 3HD1 LEU 34 1HD1 LEU 34 -2.946 -4.382 -10.894 283 1HD2 LEU 34 3HD2 LEU 34 0.328 -4.348 -8.239 284 2HD2 LEU 34 2HD2 LEU 34 0.335 -5.111 -9.829 285 3HD2 LEU 34 1HD2 LEU 34 0.319 -3.352 -9.694 286 H ASP 35 H ASP 35 -3.100 -6.583 -7.560 287 HA ASP 35 HA ASP 35 -5.875 -5.989 -8.167 288 1HB ASP 35 2HB ASP 35 -5.963 -8.532 -8.350 289 2HB ASP 35 1HB ASP 35 -4.929 -7.695 -9.497 290 H ALA 36 H ALA 36 -4.214 -7.923 -5.635 291 HA ALA 36 HA ALA 36 -6.714 -8.398 -4.234 292 1HB ALA 36 1HB ALA 36 -4.534 -9.811 -4.132 293 2HB ALA 36 3HB ALA 36 -3.999 -8.611 -2.954 294 3HB ALA 36 2HB ALA 36 -5.445 -9.574 -2.639 295 H LEU 37 H LEU 37 -4.090 -6.113 -4.009 296 HA LEU 37 HA LEU 37 -4.910 -4.883 -1.535 297 1HB LEU 37 2HB LEU 37 -2.662 -4.563 -2.594 298 2HB LEU 37 1HB LEU 37 -3.445 -3.603 -3.851 299 HG LEU 37 HG LEU 37 -4.417 -2.551 -1.447 300 1HD1 LEU 37 2HD1 LEU 37 -1.517 -3.352 -1.279 301 2HD1 LEU 37 1HD1 LEU 37 -2.096 -1.908 -0.447 302 3HD1 LEU 37 3HD1 LEU 37 -2.773 -3.487 -0.048 303 1HD2 LEU 37 1HD2 LEU 37 -2.345 -1.688 -3.460 304 2HD2 LEU 37 3HD2 LEU 37 -4.009 -1.139 -3.284 305 3HD2 LEU 37 2HD2 LEU 37 -2.795 -0.649 -2.106 306 H TRP 38 H TRP 38 -5.326 -3.849 -4.932 307 HA TRP 38 HA TRP 38 -7.115 -1.717 -4.419 308 1HB TRP 38 2HB TRP 38 -6.183 -2.028 -6.638 309 2HB TRP 38 1HB TRP 38 -6.874 -3.638 -6.738 310 HD1 TRP 38 HD1 TRP 38 -8.958 -3.807 -8.055 311 HE1 TRP 38 HE1 TRP 38 -10.848 -2.224 -8.808 312 HE3 TRP 38 HE3 TRP 38 -7.545 0.484 -5.656 313 HZ2 TRP 38 HZ2 TRP 38 -11.637 0.497 -8.458 314 HZ3 TRP 38 HZ3 TRP 38 -8.870 2.552 -5.906 315 HH2 TRP 38 HH2 TRP 38 -10.921 2.564 -7.294 316 H ASP 39 H ASP 39 -7.675 -5.138 -4.930 317 HA ASP 39 HA ASP 39 -10.512 -5.099 -4.758 318 1HB ASP 39 2HB ASP 39 -8.394 -7.117 -4.534 319 2HB ASP 39 1HB ASP 39 -9.814 -7.480 -3.549 320 H ALA 40 H ALA 40 -8.018 -4.980 -2.322 321 HA ALA 40 HA ALA 40 -9.916 -5.323 -0.108 322 1HB ALA 40 3HB ALA 40 -7.383 -5.919 -0.111 323 2HB ALA 40 2HB ALA 40 -7.136 -4.198 0.189 324 3HB ALA 40 1HB ALA 40 -8.066 -5.169 1.333 325 H LEU 41 H LEU 41 -7.653 -2.640 -0.777 326 HA LEU 41 HA LEU 41 -8.649 -0.619 0.698 327 1HB LEU 41 2HB LEU 41 -7.679 -0.602 -2.130 328 2HB LEU 41 1HB LEU 41 -8.283 0.892 -1.413 329 HG LEU 41 HG LEU 41 -6.319 -0.753 0.128 330 1HD1 LEU 41 1HD1 LEU 41 -5.608 1.173 -2.113 331 2HD1 LEU 41 3HD1 LEU 41 -4.457 0.459 -0.976 332 3HD1 LEU 41 2HD1 LEU 41 -5.323 -0.570 -2.120 333 1HD2 LEU 41 3HD2 LEU 41 -7.628 1.532 0.696 334 2HD2 LEU 41 2HD2 LEU 41 -6.027 1.151 1.334 335 3HD2 LEU 41 1HD2 LEU 41 -6.188 2.200 -0.078 336 H THR 42 H THR 42 -9.901 -1.106 -2.575 337 HA THR 42 HA THR 42 -12.332 0.386 -1.848 338 HB THR 42 HB THR 42 -11.387 0.745 -4.075 339 HG1 THR 42 HG1 THR 42 -13.377 -0.258 -5.226 340 1HG2 THR 42 2HG2 THR 42 -11.394 -2.206 -4.067 341 2HG2 THR 42 1HG2 THR 42 -11.909 -1.466 -5.582 342 3HG2 THR 42 3HG2 THR 42 -10.324 -1.083 -4.908 343 H GLY 43 H GLY 43 -12.305 -1.736 -0.205 344 1HA GLY 43 2HA GLY 43 -14.702 -2.980 -0.287 345 2HA GLY 43 1HA GLY 43 -13.783 -3.975 -1.419 346 H TRP 44 H TRP 44 -12.346 -2.473 1.475 347 HA TRP 44 HA TRP 44 -12.628 -4.772 3.181 348 1HB TRP 44 2HB TRP 44 -11.148 -5.874 1.576 349 2HB TRP 44 1HB TRP 44 -10.011 -4.528 1.668 350 HD1 TRP 44 HD1 TRP 44 -9.125 -4.020 4.314 351 HE1 TRP 44 HE1 TRP 44 -8.348 -5.760 6.051 352 HE3 TRP 44 HE3 TRP 44 -11.277 -8.223 2.375 353 HZ2 TRP 44 HZ2 TRP 44 -8.610 -8.566 6.552 354 HZ3 TRP 44 HZ3 TRP 44 -11.000 -10.414 3.499 355 HH2 TRP 44 HH2 TRP 44 -9.669 -10.591 5.584 356 H VAL 45 H VAL 45 -10.559 -2.114 2.173 357 HA VAL 45 HA VAL 45 -9.490 -1.568 4.799 358 HB VAL 45 HB VAL 45 -9.595 -0.149 2.153 359 1HG1 VAL 45 1HG1 VAL 45 -8.721 1.008 4.796 360 2HG1 VAL 45 3HG1 VAL 45 -8.162 1.634 3.246 361 3HG1 VAL 45 2HG1 VAL 45 -9.880 1.674 3.646 362 1HG2 VAL 45 3HG2 VAL 45 -7.571 -1.502 3.887 363 2HG2 VAL 45 2HG2 VAL 45 -7.808 -1.620 2.144 364 3HG2 VAL 45 1HG2 VAL 45 -7.021 -0.201 2.832 365 H GLU 46 H GLU 46 -9.985 0.447 6.017 366 HA GLU 46 HA GLU 46 -12.863 1.207 5.738 367 1HB GLU 46 2HB GLU 46 -11.133 1.191 8.236 368 2HB GLU 46 1HB GLU 46 -12.831 1.665 8.166 369 1HG GLU 46 2HG GLU 46 -13.309 -0.651 7.215 370 2HG GLU 46 1HG GLU 46 -11.656 -1.077 7.662 371 H TYR 47 H TYR 47 -12.921 3.128 4.746 372 HA TYR 47 HA TYR 47 -10.753 5.082 5.103 373 1HB TYR 47 2HB TYR 47 -13.306 5.207 3.472 374 2HB TYR 47 1HB TYR 47 -11.944 6.322 3.344 375 HD1 TYR 47 HD2 TYR 47 -9.631 4.484 3.605 376 HD2 TYR 47 HD1 TYR 47 -13.308 4.036 1.425 377 HE1 TYR 47 HE2 TYR 47 -8.501 2.949 2.011 378 HE2 TYR 47 HE1 TYR 47 -12.175 2.501 -0.161 379 HH TYR 47 HH TYR 47 -9.967 1.975 -0.936 380 HA PRO 48 HA PRO 48 -11.019 7.436 4.390 381 1HB PRO 48 2HB PRO 48 -9.888 9.426 5.912 382 2HB PRO 48 1HB PRO 48 -11.382 9.621 4.976 383 1HG PRO 48 2HG PRO 48 -11.041 9.260 7.925 384 2HG PRO 48 1HG PRO 48 -12.307 10.126 7.038 385 1HD PRO 48 2HD PRO 48 -12.599 7.576 8.163 386 2HD PRO 48 1HD PRO 48 -13.638 8.255 6.889 387 H LEU 49 H LEU 49 -8.904 6.862 4.056 388 HA LEU 49 HA LEU 49 -7.440 5.701 6.391 389 1HB LEU 49 2HB LEU 49 -7.777 3.895 4.968 390 2HB LEU 49 1HB LEU 49 -7.752 4.901 3.522 391 HG LEU 49 HG LEU 49 -5.236 5.246 4.038 392 1HD1 LEU 49 2HD1 LEU 49 -5.616 4.180 6.384 393 2HD1 LEU 49 1HD1 LEU 49 -5.574 2.643 5.520 394 3HD1 LEU 49 3HD1 LEU 49 -4.175 3.712 5.482 395 1HD2 LEU 49 3HD2 LEU 49 -6.686 3.220 2.663 396 2HD2 LEU 49 2HD2 LEU 49 -5.068 3.834 2.308 397 3HD2 LEU 49 1HD2 LEU 49 -5.276 2.465 3.403 398 H VAL 50 H VAL 50 -5.023 5.925 6.232 399 HA VAL 50 HA VAL 50 -4.243 8.374 4.701 400 HB VAL 50 HB VAL 50 -4.068 7.785 7.588 401 1HG1 VAL 50 3HG1 VAL 50 -1.633 8.698 6.049 402 2HG1 VAL 50 2HG1 VAL 50 -1.891 9.165 7.730 403 3HG1 VAL 50 1HG1 VAL 50 -1.736 7.461 7.302 404 1HG2 VAL 50 3HG2 VAL 50 -5.137 9.752 6.206 405 2HG2 VAL 50 2HG2 VAL 50 -4.371 10.087 7.759 406 3HG2 VAL 50 1HG2 VAL 50 -3.503 10.414 6.259 407 H LEU 51 H LEU 51 -3.070 7.400 3.040 408 HA LEU 51 HA LEU 51 -1.263 5.156 3.668 409 1HB LEU 51 2HB LEU 51 -2.569 5.313 1.499 410 2HB LEU 51 1HB LEU 51 -1.520 6.666 1.052 411 HG LEU 51 HG LEU 51 0.443 5.046 1.531 412 1HD1 LEU 51 2HD1 LEU 51 -1.925 3.232 1.604 413 2HD1 LEU 51 1HD1 LEU 51 -0.424 2.640 0.872 414 3HD1 LEU 51 3HD1 LEU 51 -0.441 3.172 2.561 415 1HD2 LEU 51 3HD2 LEU 51 -1.468 4.857 -0.776 416 2HD2 LEU 51 2HD2 LEU 51 0.110 5.649 -0.710 417 3HD2 LEU 51 1HD2 LEU 51 0.005 3.888 -0.742 418 H GLU 52 H GLU 52 -0.110 6.768 5.228 419 HA GLU 52 HA GLU 52 1.537 8.848 4.099 420 1HB GLU 52 2HB GLU 52 1.105 8.879 6.477 421 2HB GLU 52 1HB GLU 52 1.759 7.250 6.665 422 1HG GLU 52 2HG GLU 52 3.782 8.157 7.044 423 2HG GLU 52 1HG GLU 52 3.777 8.760 5.386 424 H TRP 53 H TRP 53 2.467 7.751 2.215 425 HA TRP 53 HA TRP 53 4.110 5.391 2.621 426 1HB TRP 53 2HB TRP 53 2.869 6.174 0.457 427 2HB TRP 53 1HB TRP 53 4.332 7.131 0.185 428 HD1 TRP 53 HD1 TRP 53 6.682 5.491 0.754 429 HE1 TRP 53 HE1 TRP 53 7.149 3.163 -0.252 430 HE3 TRP 53 HE3 TRP 53 1.958 4.177 -0.644 431 HZ2 TRP 53 HZ2 TRP 53 5.695 1.036 -1.483 432 HZ3 TRP 53 HZ3 TRP 53 1.521 2.005 -1.731 433 HH2 TRP 53 HH2 TRP 53 3.389 0.418 -2.146 434 H ARG 54 H ARG 54 5.769 5.923 4.085 435 HA ARG 54 HA ARG 54 7.373 8.302 3.888 436 1HB ARG 54 2HB ARG 54 8.337 5.674 5.033 437 2HB ARG 54 1HB ARG 54 8.749 7.309 5.550 438 1HG ARG 54 2HG ARG 54 5.885 6.915 5.672 439 2HG ARG 54 1HG ARG 54 6.715 5.662 6.596 440 1HD ARG 54 2HD ARG 54 8.103 7.993 7.234 441 2HD ARG 54 1HD ARG 54 6.415 8.502 7.193 442 HE ARG 54 HE ARG 54 6.398 6.133 8.658 443 1HH1 ARG 54 1HH2 ARG 54 8.859 6.418 9.930 444 2HH1 ARG 54 2HH2 ARG 54 8.638 7.627 11.151 445 1HH2 ARG 54 2HH1 ARG 54 5.729 8.891 9.748 446 2HH2 ARG 54 1HH1 ARG 54 6.865 9.027 11.047 447 H GLN 55 H GLN 55 9.794 6.095 3.955 448 HA GLN 55 HA GLN 55 11.007 6.780 1.551 449 1HB GLN 55 2HB GLN 55 11.154 4.373 3.316 450 2HB GLN 55 1HB GLN 55 11.913 4.276 1.728 451 1HG GLN 55 2HG GLN 55 13.502 5.863 2.236 452 2HG GLN 55 1HG GLN 55 12.436 6.726 3.344 453 1HE2 GLN 55 2HE2 GLN 55 15.114 4.418 5.018 454 2HE2 GLN 55 1HE2 GLN 55 15.261 5.253 3.548 455 H PHE 56 H PHE 56 10.411 6.478 -0.542 456 HA PHE 56 HA PHE 56 8.594 4.176 -1.148 457 1HB PHE 56 2HB PHE 56 7.338 6.253 -1.290 458 2HB PHE 56 1HB PHE 56 8.583 6.979 -2.306 459 HD1 PHE 56 HD1 PHE 56 8.909 6.234 -4.635 460 HD2 PHE 56 HD2 PHE 56 5.783 4.617 -2.175 461 HE1 PHE 56 HE1 PHE 56 7.814 5.298 -6.645 462 HE2 PHE 56 HE2 PHE 56 4.687 3.678 -4.181 463 HZ PHE 56 HZ PHE 56 5.701 4.018 -6.424 464 H GLU 57 H GLU 57 11.598 5.584 -1.724 465 HA GLU 57 HA GLU 57 11.842 4.819 -4.535 466 1HB GLU 57 2HB GLU 57 13.404 6.285 -2.587 467 2HB GLU 57 1HB GLU 57 14.415 5.110 -3.429 468 1HG GLU 57 2HG GLU 57 12.513 6.849 -4.982 469 2HG GLU 57 1HG GLU 57 14.087 7.476 -4.491 470 H GLN 58 H GLN 58 13.410 3.648 -1.533 471 HA GLN 58 HA GLN 58 14.779 1.472 -2.555 472 1HB GLN 58 2HB GLN 58 14.121 0.331 -0.280 473 2HB GLN 58 1HB GLN 58 15.141 1.767 -0.284 474 1HG GLN 58 2HG GLN 58 12.460 2.698 -0.275 475 2HG GLN 58 1HG GLN 58 12.549 1.405 0.919 476 1HE2 GLN 58 2HE2 GLN 58 14.825 4.779 1.491 477 2HE2 GLN 58 1HE2 GLN 58 14.261 4.415 -0.067 478 H SER 59 H SER 59 12.166 0.228 -0.645 479 HA SER 59 HA SER 59 11.552 -2.070 -1.831 480 1HB SER 59 2HB SER 59 9.172 -1.777 -1.279 481 2HB SER 59 1HB SER 59 10.205 -1.125 -0.006 482 HG SER 59 HG SER 59 8.750 0.453 -0.413 483 H LYS 60 H LYS 60 10.615 1.012 -3.313 484 HA LYS 60 HA LYS 60 8.975 0.044 -5.393 485 1HB LYS 60 2HB LYS 60 9.312 2.425 -4.867 486 2HB LYS 60 1HB LYS 60 10.963 2.319 -5.501 487 1HG LYS 60 2HG LYS 60 9.597 1.282 -7.595 488 2HG LYS 60 1HG LYS 60 8.366 2.373 -6.956 489 1HD LYS 60 2HD LYS 60 9.600 4.264 -7.416 490 2HD LYS 60 1HD LYS 60 11.143 3.437 -7.204 491 1HE LYS 60 2HE LYS 60 11.283 2.966 -9.404 492 2HE LYS 60 1HE LYS 60 9.645 2.315 -9.430 493 1HZ LYS 60 3HZ LYS 60 9.460 5.081 -9.132 494 2HZ LYS 60 2HZ LYS 60 10.556 4.786 -10.396 495 3HZ LYS 60 1HZ LYS 60 8.987 4.141 -10.462 496 H GLN 61 H GLN 61 12.302 1.145 -6.064 497 HA GLN 61 HA GLN 61 12.481 -0.438 -8.462 498 1HB GLN 61 2HB GLN 61 13.772 1.698 -7.863 499 2HB GLN 61 1HB GLN 61 14.821 0.648 -6.908 500 1HG GLN 61 2HG GLN 61 15.931 0.024 -8.762 501 2HG GLN 61 1HG GLN 61 14.428 -0.540 -9.492 502 1HE2 GLN 61 2HE2 GLN 61 15.992 3.049 -10.611 503 2HE2 GLN 61 1HE2 GLN 61 16.711 2.138 -9.372 504 H LEU 62 H LEU 62 12.930 -1.180 -5.197 505 HA LEU 62 HA LEU 62 14.918 -3.268 -5.515 506 1HB LEU 62 2HB LEU 62 13.026 -2.464 -3.306 507 2HB LEU 62 1HB LEU 62 14.039 -3.904 -3.174 508 HG LEU 62 HG LEU 62 16.018 -2.675 -3.116 509 1HD1 LEU 62 1HD1 LEU 62 14.485 -0.441 -4.492 510 2HD1 LEU 62 3HD1 LEU 62 16.119 -0.250 -3.858 511 3HD1 LEU 62 2HD1 LEU 62 15.805 -1.403 -5.154 512 1HD2 LEU 62 1HD2 LEU 62 13.766 -1.460 -1.676 513 2HD2 LEU 62 3HD2 LEU 62 15.363 -1.919 -1.083 514 3HD2 LEU 62 2HD2 LEU 62 15.133 -0.367 -1.889 515 H THR 63 H THR 63 11.877 -3.147 -6.704 516 HA THR 63 HA THR 63 11.634 -6.108 -6.586 517 HB THR 63 HB THR 63 9.936 -5.651 -5.060 518 HG1 THR 63 HG1 THR 63 7.961 -5.630 -6.297 519 1HG2 THR 63 1HG2 THR 63 10.220 -3.016 -5.892 520 2HG2 THR 63 3HG2 THR 63 8.560 -3.412 -6.319 521 3HG2 THR 63 2HG2 THR 63 9.113 -3.594 -4.656 522 H GLU 64 H GLU 64 9.152 -4.079 -7.951 523 HA GLU 64 HA GLU 64 10.166 -3.690 -10.564 524 1HB GLU 64 2HB GLU 64 8.689 -5.604 -11.603 525 2HB GLU 64 1HB GLU 64 10.312 -5.983 -11.026 526 1HG GLU 64 2HG GLU 64 9.520 -7.021 -9.081 527 2HG GLU 64 1HG GLU 64 7.967 -6.191 -9.155 528 H ASN 65 H ASN 65 8.775 -1.938 -9.317 529 HA ASN 65 HA ASN 65 6.869 -0.571 -9.609 530 1HB ASN 65 2HB ASN 65 6.730 -2.279 -11.796 531 2HB ASN 65 1HB ASN 65 5.188 -2.542 -10.981 532 1HD2 ASN 65 2HD2 ASN 65 5.854 0.952 -12.925 533 2HD2 ASN 65 1HD2 ASN 65 7.017 -0.284 -12.903 534 H GLY 66 H GLY 66 7.352 -2.926 -7.675 535 1HA GLY 66 2HA GLY 66 4.747 -3.916 -6.917 536 2HA GLY 66 1HA GLY 66 6.200 -3.966 -5.914 537 H ALA 67 H ALA 67 6.883 -1.631 -5.156 538 HA ALA 67 HA ALA 67 4.833 -0.619 -3.458 539 1HB ALA 67 1HB ALA 67 7.413 0.608 -4.462 540 2HB ALA 67 3HB ALA 67 6.364 1.426 -3.304 541 3HB ALA 67 2HB ALA 67 7.104 -0.120 -2.885 542 H GLU 68 H GLU 68 6.028 0.587 -6.602 543 HA GLU 68 HA GLU 68 4.317 2.839 -6.756 544 1HB GLU 68 2HB GLU 68 6.324 2.128 -8.272 545 2HB GLU 68 1HB GLU 68 5.094 1.263 -9.194 546 1HG GLU 68 2HG GLU 68 4.285 3.993 -8.505 547 2HG GLU 68 1HG GLU 68 5.739 3.940 -9.500 548 H SER 69 H SER 69 3.680 -0.530 -7.096 549 HA SER 69 HA SER 69 1.212 -0.148 -8.632 550 1HB SER 69 2HB SER 69 2.696 -2.477 -7.493 551 2HB SER 69 1HB SER 69 0.969 -2.670 -7.778 552 HG SER 69 HG SER 69 2.679 -3.055 -9.550 553 H VAL 70 H VAL 70 1.888 -1.364 -5.296 554 HA VAL 70 HA VAL 70 -0.764 -1.387 -4.404 555 HB VAL 70 HB VAL 70 1.718 -0.522 -2.882 556 1HG1 VAL 70 2HG1 VAL 70 -1.007 -0.200 -2.185 557 2HG1 VAL 70 1HG1 VAL 70 -0.427 -1.575 -1.252 558 3HG1 VAL 70 3HG1 VAL 70 0.390 -0.015 -1.125 559 1HG2 VAL 70 2HG2 VAL 70 0.220 -3.150 -3.139 560 2HG2 VAL 70 1HG2 VAL 70 1.901 -2.829 -3.566 561 3HG2 VAL 70 3HG2 VAL 70 1.410 -2.845 -1.872 562 H LEU 71 H LEU 71 1.438 1.172 -5.115 563 HA LEU 71 HA LEU 71 -0.173 3.171 -3.806 564 1HB LEU 71 2HB LEU 71 2.352 3.295 -4.192 565 2HB LEU 71 1HB LEU 71 1.961 3.697 -5.867 566 HG LEU 71 HG LEU 71 0.804 5.671 -5.230 567 1HD1 LEU 71 3HD1 LEU 71 0.713 4.322 -2.578 568 2HD1 LEU 71 2HD1 LEU 71 0.786 6.090 -2.579 569 3HD1 LEU 71 1HD1 LEU 71 -0.539 5.258 -3.411 570 1HD2 LEU 71 2HD2 LEU 71 3.383 5.560 -4.981 571 2HD2 LEU 71 1HD2 LEU 71 2.543 6.949 -4.290 572 3HD2 LEU 71 3HD2 LEU 71 3.067 5.625 -3.248 573 H GLN 72 H GLN 72 0.327 2.102 -7.174 574 HA GLN 72 HA GLN 72 -1.295 4.104 -8.373 575 1HB GLN 72 2HB GLN 72 -0.430 1.356 -9.095 576 2HB GLN 72 1HB GLN 72 -1.883 1.940 -9.908 577 1HG GLN 72 2HG GLN 72 -0.406 4.126 -10.236 578 2HG GLN 72 1HG GLN 72 0.921 2.975 -10.062 579 1HE2 GLN 72 2HE2 GLN 72 -0.635 1.055 -12.944 580 2HE2 GLN 72 1HE2 GLN 72 -0.504 0.711 -11.287 581 H VAL 73 H VAL 73 -2.022 1.338 -6.463 582 HA VAL 73 HA VAL 73 -4.891 1.350 -7.063 583 HB VAL 73 HB VAL 73 -3.219 -0.169 -5.053 584 1HG1 VAL 73 2HG1 VAL 73 -5.547 0.264 -4.258 585 2HG1 VAL 73 1HG1 VAL 73 -6.141 -0.497 -5.729 586 3HG1 VAL 73 3HG1 VAL 73 -5.222 -1.443 -4.566 587 1HG2 VAL 73 3HG2 VAL 73 -4.208 -0.562 -7.821 588 2HG2 VAL 73 2HG2 VAL 73 -2.782 -1.241 -7.033 589 3HG2 VAL 73 1HG2 VAL 73 -4.370 -1.960 -6.756 590 H PHE 74 H PHE 74 -2.871 2.166 -4.223 591 HA PHE 74 HA PHE 74 -4.883 2.942 -2.477 592 1HB PHE 74 2HB PHE 74 -2.012 3.577 -2.885 593 2HB PHE 74 1HB PHE 74 -2.927 4.734 -1.929 594 HD1 PHE 74 HD2 PHE 74 -4.595 3.606 -0.148 595 HD2 PHE 74 HD1 PHE 74 -1.070 1.766 -1.773 596 HE1 PHE 74 HE2 PHE 74 -4.526 2.020 1.750 597 HE2 PHE 74 HE1 PHE 74 -1.022 0.189 0.142 598 HZ PHE 74 HZ PHE 74 -2.764 0.326 1.885 599 H ARG 75 H ARG 75 -3.023 4.902 -4.756 600 HA ARG 75 HA ARG 75 -4.597 7.271 -4.557 601 1HB ARG 75 2HB ARG 75 -2.575 6.183 -6.447 602 2HB ARG 75 1HB ARG 75 -3.648 7.428 -7.086 603 1HG ARG 75 2HG ARG 75 -3.082 8.700 -4.873 604 2HG ARG 75 1HG ARG 75 -1.696 7.611 -4.804 605 1HD ARG 75 2HD ARG 75 -0.873 9.478 -5.991 606 2HD ARG 75 1HD ARG 75 -1.274 8.323 -7.261 607 HE ARG 75 HE ARG 75 -3.577 9.704 -7.161 608 1HH1 ARG 75 1HH2 ARG 75 -1.018 11.381 -5.883 609 2HH1 ARG 75 2HH2 ARG 75 -1.012 12.654 -7.058 610 1HH2 ARG 75 2HH1 ARG 75 -3.275 11.082 -9.164 611 2HH2 ARG 75 1HH1 ARG 75 -2.289 12.486 -8.915 612 H GLU 76 H GLU 76 -4.851 4.403 -6.731 613 HA GLU 76 HA GLU 76 -6.900 5.412 -8.418 614 1HB GLU 76 2HB GLU 76 -5.995 2.725 -7.562 615 2HB GLU 76 1HB GLU 76 -7.646 2.814 -8.177 616 1HG GLU 76 2HG GLU 76 -6.969 3.516 -10.282 617 2HG GLU 76 1HG GLU 76 -5.452 4.188 -9.685 618 H ALA 77 H ALA 77 -7.018 4.289 -5.117 619 HA ALA 77 HA ALA 77 -9.941 4.121 -5.035 620 1HB ALA 77 1HB ALA 77 -7.987 3.004 -3.513 621 2HB ALA 77 3HB ALA 77 -8.366 4.417 -2.533 622 3HB ALA 77 2HB ALA 77 -9.631 3.256 -2.922 623 H LYS 78 H LYS 78 -7.476 6.332 -3.641 624 HA LYS 78 HA LYS 78 -9.363 8.218 -2.643 625 1HB LYS 78 2HB LYS 78 -7.497 9.545 -2.201 626 2HB LYS 78 1HB LYS 78 -6.786 7.939 -2.236 627 1HG LYS 78 2HG LYS 78 -5.339 8.810 -3.748 628 2HG LYS 78 1HG LYS 78 -6.679 8.691 -4.889 629 1HD LYS 78 2HD LYS 78 -5.779 10.958 -4.945 630 2HD LYS 78 1HD LYS 78 -7.391 10.991 -4.230 631 1HE LYS 78 2HE LYS 78 -6.470 12.062 -2.472 632 2HE LYS 78 1HE LYS 78 -5.692 10.533 -2.061 633 1HZ LYS 78 2HZ LYS 78 -4.183 11.632 -4.089 634 2HZ LYS 78 1HZ LYS 78 -4.526 12.924 -3.042 635 3HZ LYS 78 3HZ LYS 78 -3.767 11.530 -2.445 636 H ALA 79 H ALA 79 -8.497 7.379 -5.812 637 HA ALA 79 HA ALA 79 -9.104 10.014 -6.998 638 1HB ALA 79 2HB ALA 79 -7.507 7.894 -7.782 639 2HB ALA 79 1HB ALA 79 -8.950 7.677 -8.779 640 3HB ALA 79 3HB ALA 79 -8.049 9.197 -8.843 641 H GLU 80 H GLU 80 -10.204 6.744 -7.785 642 HA GLU 80 HA GLU 80 -12.578 7.393 -9.058 643 1HB GLU 80 2HB GLU 80 -12.242 5.015 -7.220 644 2HB GLU 80 1HB GLU 80 -13.256 5.137 -8.657 645 1HG GLU 80 2HG GLU 80 -10.558 5.819 -9.360 646 2HG GLU 80 1HG GLU 80 -10.566 4.264 -8.526 647 H GLY 81 H GLY 81 -12.362 6.447 -5.582 648 1HA GLY 81 2HA GLY 81 -14.290 8.532 -4.883 649 2HA GLY 81 1HA GLY 81 -14.995 6.914 -4.844 650 H ALA 82 H ALA 82 -12.541 5.609 -3.942 651 HA ALA 82 HA ALA 82 -12.845 5.427 -1.238 652 1HB ALA 82 2HB ALA 82 -10.891 4.629 -3.047 653 2HB ALA 82 1HB ALA 82 -9.998 5.582 -1.859 654 3HB ALA 82 3HB ALA 82 -10.959 4.196 -1.339 655 H ASP 83 H ASP 83 -11.953 6.449 0.622 656 HA ASP 83 HA ASP 83 -11.167 9.295 0.167 657 1HB ASP 83 2HB ASP 83 -12.478 7.899 2.519 658 2HB ASP 83 1HB ASP 83 -11.831 9.536 2.622 659 H ILE 84 H ILE 84 -9.068 7.866 -0.312 660 HA ILE 84 HA ILE 84 -7.601 7.445 2.250 661 HB ILE 84 HB ILE 84 -7.051 6.427 -0.546 662 1HG1 ILE 84 2HG1 ILE 84 -7.477 4.614 1.738 663 2HG1 ILE 84 1HG1 ILE 84 -8.896 5.538 1.241 664 1HG2 ILE 84 2HG2 ILE 84 -5.060 6.952 1.056 665 2HG2 ILE 84 1HG2 ILE 84 -5.657 5.580 1.991 666 3HG2 ILE 84 3HG2 ILE 84 -5.135 5.350 0.321 667 1HD1 ILE 84 2HD1 ILE 84 -7.331 4.407 -0.982 668 2HD1 ILE 84 1HD1 ILE 84 -8.087 3.207 0.066 669 3HD1 ILE 84 3HD1 ILE 84 -9.075 4.431 -0.727 670 H THR 85 H THR 85 -6.282 9.126 2.774 671 HA THR 85 HA THR 85 -5.395 11.047 0.759 672 HB THR 85 HB THR 85 -4.634 10.758 3.687 673 HG1 THR 85 HG1 THR 85 -6.773 11.242 3.549 674 1HG2 THR 85 1HG2 THR 85 -4.221 12.996 1.688 675 2HG2 THR 85 3HG2 THR 85 -3.940 13.146 3.424 676 3HG2 THR 85 2HG2 THR 85 -2.964 12.032 2.465 677 H ILE 86 H ILE 86 -3.891 10.192 -0.632 678 HA ILE 86 HA ILE 86 -1.850 8.335 0.366 679 HB ILE 86 HB ILE 86 -2.982 9.071 -2.222 680 1HG1 ILE 86 2HG1 ILE 86 -2.378 6.791 -2.751 681 2HG1 ILE 86 1HG1 ILE 86 -1.244 6.732 -1.405 682 1HG2 ILE 86 3HG2 ILE 86 -0.704 10.156 -2.439 683 2HG2 ILE 86 2HG2 ILE 86 0.008 8.565 -2.181 684 3HG2 ILE 86 1HG2 ILE 86 -1.005 8.859 -3.593 685 1HD1 ILE 86 2HD1 ILE 86 -3.580 7.465 -0.143 686 2HD1 ILE 86 1HD1 ILE 86 -4.167 6.392 -1.412 687 3HD1 ILE 86 3HD1 ILE 86 -2.974 5.809 -0.252 688 H ILE 87 H ILE 87 0.152 8.929 1.003 689 HA ILE 87 HA ILE 87 1.055 11.694 0.272 690 HB ILE 87 HB ILE 87 1.331 10.197 2.882 691 1HG1 ILE 87 2HG1 ILE 87 0.457 13.047 2.486 692 2HG1 ILE 87 1HG1 ILE 87 -0.684 11.732 2.201 693 1HG2 ILE 87 3HG2 ILE 87 3.135 12.129 1.638 694 2HG2 ILE 87 2HG2 ILE 87 2.522 12.692 3.193 695 3HG2 ILE 87 1HG2 ILE 87 3.371 11.150 3.086 696 1HD1 ILE 87 2HD1 ILE 87 0.236 10.897 4.556 697 2HD1 ILE 87 1HD1 ILE 87 0.596 12.612 4.757 698 3HD1 ILE 87 3HD1 ILE 87 -1.061 12.088 4.455 699 H LEU 88 H LEU 88 3.147 11.872 -0.483 700 HA LEU 88 HA LEU 88 4.902 9.472 -0.319 701 1HB LEU 88 2HB LEU 88 4.314 11.006 -2.871 702 2HB LEU 88 1HB LEU 88 5.440 9.658 -2.711 703 HG LEU 88 HG LEU 88 2.578 9.314 -1.862 704 1HD1 LEU 88 3HD1 LEU 88 2.703 10.292 -4.217 705 2HD1 LEU 88 2HD1 LEU 88 3.560 8.822 -4.682 706 3HD1 LEU 88 1HD1 LEU 88 1.905 8.725 -4.081 707 1HD2 LEU 88 3HD2 LEU 88 4.652 7.677 -1.589 708 2HD2 LEU 88 2HD2 LEU 88 3.064 7.046 -2.026 709 3HD2 LEU 88 1HD2 LEU 88 4.288 7.293 -3.271 710 H SER 89 HN SER 89 5.668 11.227 1.343 711 HA SER 89 HA SER 89 6.867 13.652 0.577 712 1HB SER 89 2HB SER 89 6.888 13.371 2.877 713 2HB SER 89 1HB SER 89 7.362 11.674 2.768 714 HG SER 89 HG SER 89 8.907 13.765 3.186 No H/Q in entry = 714 Start of MODEL 29 1 1H LYS 1 1H LYS 1 -8.370 4.816 7.549 2 2H LYS 1 3H LYS 1 -9.392 3.863 8.510 3 3H LYS 1 2H LYS 1 -9.136 5.496 8.905 4 HA LYS 1 HA LYS 1 -7.734 4.524 10.396 5 1HB LYS 1 2HB LYS 1 -7.832 2.350 8.414 6 2HB LYS 1 1HB LYS 1 -6.259 2.531 9.191 7 1HG LYS 1 2HG LYS 1 -8.345 2.806 11.163 8 2HG LYS 1 1HG LYS 1 -8.572 1.303 10.266 9 1HD LYS 1 2HD LYS 1 -5.893 1.208 10.642 10 2HD LYS 1 1HD LYS 1 -6.365 2.105 12.085 11 1HE LYS 1 2HE LYS 1 -8.246 0.005 11.791 12 2HE LYS 1 1HE LYS 1 -6.651 -0.709 11.550 13 1HZ LYS 1 3HZ LYS 1 -5.995 0.585 13.616 14 2HZ LYS 1 2HZ LYS 1 -7.660 0.790 13.889 15 3HZ LYS 1 1HZ LYS 1 -6.989 -0.771 13.840 16 H LYS 2 H LYS 2 -5.110 3.929 10.095 17 HA LYS 2 HA LYS 2 -4.100 5.961 8.148 18 1HB LYS 2 2HB LYS 2 -3.906 7.028 10.259 19 2HB LYS 2 1HB LYS 2 -3.382 5.543 11.050 20 1HG LYS 2 2HG LYS 2 -1.223 5.954 10.551 21 2HG LYS 2 1HG LYS 2 -1.611 6.227 8.853 22 1HD LYS 2 2HD LYS 2 -2.382 8.533 9.451 23 2HD LYS 2 1HD LYS 2 -1.829 8.249 11.101 24 1HE LYS 2 2HE LYS 2 0.332 7.495 9.479 25 2HE LYS 2 1HE LYS 2 -0.282 8.982 8.757 26 1HZ LYS 2 3HZ LYS 2 -0.298 9.295 11.532 27 2HZ LYS 2 2HZ LYS 2 1.226 8.682 11.098 28 3HZ LYS 2 1HZ LYS 2 0.652 10.116 10.391 29 H ALA 3 H ALA 3 -3.210 4.604 6.620 30 HA ALA 3 HA ALA 3 -1.720 2.209 7.435 31 1HB ALA 3 3HB ALA 3 -2.824 3.323 4.958 32 2HB ALA 3 2HB ALA 3 -1.222 2.620 4.736 33 3HB ALA 3 1HB ALA 3 -2.532 1.641 5.398 34 H VAL 4 H VAL 4 0.572 1.941 7.008 35 HA VAL 4 HA VAL 4 2.060 4.446 6.428 36 HB VAL 4 HB VAL 4 2.452 2.688 8.866 37 1HG1 VAL 4 2HG1 VAL 4 4.304 4.418 7.374 38 2HG1 VAL 4 1HG1 VAL 4 4.187 4.821 9.086 39 3HG1 VAL 4 3HG1 VAL 4 4.648 3.191 8.595 40 1HG2 VAL 4 3HG2 VAL 4 1.141 5.241 8.321 41 2HG2 VAL 4 2HG2 VAL 4 1.070 4.236 9.769 42 3HG2 VAL 4 1HG2 VAL 4 2.385 5.393 9.562 43 H ILE 5 H ILE 5 3.649 4.050 5.002 44 HA ILE 5 HA ILE 5 4.475 1.224 4.546 45 HB ILE 5 HB ILE 5 5.078 3.589 2.762 46 1HG1 ILE 5 2HG1 ILE 5 2.537 3.108 3.403 47 2HG1 ILE 5 1HG1 ILE 5 2.990 3.474 1.752 48 1HG2 ILE 5 1HG2 ILE 5 5.448 0.685 2.687 49 2HG2 ILE 5 3HG2 ILE 5 4.671 1.316 1.235 50 3HG2 ILE 5 2HG2 ILE 5 6.237 1.948 1.742 51 1HD1 ILE 5 1HD1 ILE 5 3.163 0.993 1.330 52 2HD1 ILE 5 3HD1 ILE 5 2.481 0.740 2.938 53 3HD1 ILE 5 2HD1 ILE 5 1.536 1.563 1.696 54 H ASN 6 H ASN 6 6.674 0.672 4.710 55 HA ASN 6 HA ASN 6 8.454 2.861 5.695 56 1HB ASN 6 2HB ASN 6 8.952 0.006 6.452 57 2HB ASN 6 1HB ASN 6 9.331 1.482 7.339 58 1HD2 ASN 6 2HD2 ASN 6 6.506 0.966 9.341 59 2HD2 ASN 6 1HD2 ASN 6 8.165 1.311 9.239 60 H GLY 7 H GLY 7 9.771 3.310 3.994 61 1HA GLY 7 2HA GLY 7 10.531 1.282 2.055 62 2HA GLY 7 1HA GLY 7 11.147 2.940 2.115 63 H GLU 8 H GLU 8 11.547 1.989 5.173 64 HA GLU 8 HA GLU 8 14.325 1.117 4.651 65 1HB GLU 8 2HB GLU 8 14.437 2.967 6.078 66 2HB GLU 8 1HB GLU 8 12.964 2.509 6.932 67 1HG GLU 8 2HG GLU 8 15.372 0.716 7.080 68 2HG GLU 8 1HG GLU 8 15.297 2.153 8.094 69 H GLN 9 H GLN 9 11.432 0.249 6.417 70 HA GLN 9 HA GLN 9 12.672 -2.169 7.503 71 1HB GLN 9 2HB GLN 9 10.795 -0.735 8.599 72 2HB GLN 9 1HB GLN 9 9.713 -1.610 7.515 73 1HG GLN 9 2HG GLN 9 10.569 -3.756 8.414 74 2HG GLN 9 1HG GLN 9 11.605 -2.863 9.528 75 1HE2 GLN 9 2HE2 GLN 9 9.018 -2.694 11.898 76 2HE2 GLN 9 1HE2 GLN 9 10.675 -2.879 11.576 77 H ILE 10 H ILE 10 10.899 -1.236 4.724 78 HA ILE 10 HA ILE 10 10.078 -3.983 4.060 79 HB ILE 10 HB ILE 10 9.938 -1.444 2.408 80 1HG1 ILE 10 2HG1 ILE 10 8.637 -1.525 4.616 81 2HG1 ILE 10 1HG1 ILE 10 7.680 -1.224 3.165 82 1HG2 ILE 10 1HG2 ILE 10 9.244 -4.272 1.915 83 2HG2 ILE 10 3HG2 ILE 10 7.963 -3.125 1.523 84 3HG2 ILE 10 2HG2 ILE 10 9.547 -2.970 0.765 85 1HD1 ILE 10 1HD1 ILE 10 7.867 -4.051 3.501 86 2HD1 ILE 10 3HD1 ILE 10 7.420 -3.358 5.058 87 3HD1 ILE 10 2HD1 ILE 10 6.433 -3.036 3.634 88 H ARG 11 H ARG 11 11.888 -5.203 3.659 89 HA ARG 11 HA ARG 11 14.247 -4.236 2.309 90 1HB ARG 11 2HB ARG 11 13.643 -7.123 2.017 91 2HB ARG 11 1HB ARG 11 15.093 -6.335 2.644 92 1HG ARG 11 2HG ARG 11 13.699 -5.754 4.711 93 2HG ARG 11 1HG ARG 11 12.508 -6.900 4.089 94 1HD ARG 11 2HD ARG 11 14.125 -8.705 4.148 95 2HD ARG 11 1HD ARG 11 15.422 -7.588 4.570 96 HE ARG 11 HE ARG 11 13.120 -7.836 6.434 97 1HH1 ARG 11 1HH2 ARG 11 15.493 -6.380 7.344 98 2HH1 ARG 11 2HH2 ARG 11 16.397 -7.583 8.203 99 1HH2 ARG 11 2HH1 ARG 11 14.684 -10.252 6.800 100 2HH2 ARG 11 1HH1 ARG 11 15.938 -9.775 7.894 101 H SER 12 H SER 12 11.437 -6.116 1.246 102 HA SER 12 HA SER 12 11.886 -5.103 -1.512 103 1HB SER 12 2HB SER 12 11.753 -7.296 -2.508 104 2HB SER 12 1HB SER 12 13.012 -7.355 -1.279 105 HG SER 12 HG SER 12 11.878 -8.954 -0.519 106 H ILE 13 H ILE 13 9.923 -5.710 -2.915 107 HA ILE 13 HA ILE 13 7.551 -4.725 -1.822 108 HB ILE 13 HB ILE 13 7.880 -5.029 -4.242 109 1HG1 ILE 13 2HG1 ILE 13 5.642 -5.966 -4.779 110 2HG1 ILE 13 1HG1 ILE 13 5.531 -6.604 -3.140 111 1HG2 ILE 13 3HG2 ILE 13 8.391 -7.755 -3.379 112 2HG2 ILE 13 2HG2 ILE 13 7.182 -7.712 -4.664 113 3HG2 ILE 13 1HG2 ILE 13 8.769 -6.986 -4.920 114 1HD1 ILE 13 2HD1 ILE 13 6.234 -3.887 -2.856 115 2HD1 ILE 13 1HD1 ILE 13 4.969 -3.931 -4.084 116 3HD1 ILE 13 3HD1 ILE 13 4.675 -4.627 -2.491 117 H SER 14 H SER 14 8.941 -7.896 -1.479 118 HA SER 14 HA SER 14 6.643 -9.413 -0.804 119 1HB SER 14 2HB SER 14 9.193 -9.789 0.727 120 2HB SER 14 1HB SER 14 8.117 -11.002 0.040 121 HG SER 14 HG SER 14 10.216 -10.521 -1.061 122 H ASP 15 H ASP 15 8.798 -7.506 1.322 123 HA ASP 15 HA ASP 15 7.144 -7.915 3.660 124 1HB ASP 15 2HB ASP 15 9.608 -6.499 2.948 125 2HB ASP 15 1HB ASP 15 8.632 -5.632 4.127 126 H LEU 16 H LEU 16 6.980 -5.904 0.932 127 HA LEU 16 HA LEU 16 5.654 -3.610 2.041 128 1HB LEU 16 2HB LEU 16 6.687 -3.768 -0.258 129 2HB LEU 16 1HB LEU 16 5.319 -4.765 -0.737 130 HG LEU 16 HG LEU 16 3.962 -2.963 -0.970 131 1HD1 LEU 16 2HD1 LEU 16 5.179 -1.876 1.588 132 2HD1 LEU 16 1HD1 LEU 16 3.901 -1.067 0.684 133 3HD1 LEU 16 3HD1 LEU 16 3.603 -2.645 1.409 134 1HD2 LEU 16 1HD2 LEU 16 6.069 -2.194 -2.029 135 2HD2 LEU 16 3HD2 LEU 16 5.111 -0.852 -1.402 136 3HD2 LEU 16 2HD2 LEU 16 6.523 -1.421 -0.509 137 H HIS 17 H HIS 17 4.327 -6.389 0.225 138 HA HIS 17 HA HIS 17 1.606 -5.832 0.663 139 1HB HIS 17 2HB HIS 17 3.045 -8.473 0.366 140 2HB HIS 17 1HB HIS 17 1.282 -8.334 0.401 141 HD1 HIS 17 HD1 HIS 17 0.123 -7.388 -1.669 142 HD2 HIS 17 HD2 HIS 17 4.277 -7.240 -1.934 143 HE1 HIS 17 HE1 HIS 17 0.665 -6.767 -4.059 144 H GLN 18 H GLN 18 3.974 -7.055 2.845 145 HA GLN 18 HA GLN 18 2.024 -8.054 4.779 146 1HB GLN 18 2HB GLN 18 4.930 -7.389 5.287 147 2HB GLN 18 1HB GLN 18 3.908 -8.497 6.204 148 1HG GLN 18 2HG GLN 18 3.644 -9.776 3.964 149 2HG GLN 18 1HG GLN 18 5.053 -8.854 3.438 150 1HE2 GLN 18 2HE2 GLN 18 7.159 -10.385 6.035 151 2HE2 GLN 18 1HE2 GLN 18 6.811 -8.832 5.444 152 H THR 19 H THR 19 3.917 -5.176 4.260 153 HA THR 19 HA THR 19 3.265 -3.879 6.731 154 HB THR 19 HB THR 19 4.168 -2.837 4.045 155 HG1 THR 19 HG1 THR 19 5.320 -3.304 6.571 156 1HG2 THR 19 1HG2 THR 19 2.882 -1.376 6.171 157 2HG2 THR 19 3HG2 THR 19 4.565 -0.867 6.035 158 3HG2 THR 19 2HG2 THR 19 3.500 -0.774 4.633 159 H LEU 20 H LEU 20 1.737 -3.963 3.592 160 HA LEU 20 HA LEU 20 -0.348 -2.058 4.335 161 1HB LEU 20 2HB LEU 20 -0.757 -4.050 2.131 162 2HB LEU 20 1HB LEU 20 -1.215 -2.346 2.194 163 HG LEU 20 HG LEU 20 1.604 -3.389 1.941 164 1HD1 LEU 20 1HD1 LEU 20 -0.314 -2.169 -0.047 165 2HD1 LEU 20 3HD1 LEU 20 1.421 -2.297 -0.336 166 3HD1 LEU 20 2HD1 LEU 20 0.451 -3.756 -0.131 167 1HD2 LEU 20 3HD2 LEU 20 1.106 -1.145 3.158 168 2HD2 LEU 20 2HD2 LEU 20 2.305 -1.135 1.863 169 3HD2 LEU 20 1HD2 LEU 20 0.669 -0.552 1.555 170 H LYS 21 H LYS 21 0.114 -5.527 4.206 171 HA LYS 21 HA LYS 21 -2.577 -6.279 4.872 172 1HB LYS 21 2HB LYS 21 -1.087 -7.982 4.059 173 2HB LYS 21 1HB LYS 21 0.086 -7.648 5.338 174 1HG LYS 21 2HG LYS 21 -1.039 -8.910 6.848 175 2HG LYS 21 1HG LYS 21 -2.603 -8.266 6.345 176 1HD LYS 21 2HD LYS 21 -2.971 -9.955 4.855 177 2HD LYS 21 1HD LYS 21 -1.273 -10.044 4.385 178 1HE LYS 21 2HE LYS 21 -1.709 -10.850 7.163 179 2HE LYS 21 1HE LYS 21 -2.593 -11.859 6.019 180 1HZ LYS 21 1HZ LYS 21 0.202 -11.187 5.438 181 2HZ LYS 21 3HZ LYS 21 -0.117 -12.369 6.613 182 3HZ LYS 21 2HZ LYS 21 -0.686 -12.576 5.025 183 H LYS 22 H LYS 22 0.082 -4.991 6.725 184 HA LYS 22 HA LYS 22 -1.101 -5.741 9.310 185 1HB LYS 22 2HB LYS 22 1.280 -5.645 9.292 186 2HB LYS 22 1HB LYS 22 1.284 -4.075 8.491 187 1HG LYS 22 2HG LYS 22 0.253 -3.053 10.490 188 2HG LYS 22 1HG LYS 22 0.269 -4.622 11.296 189 1HD LYS 22 2HD LYS 22 2.613 -4.662 11.451 190 2HD LYS 22 1HD LYS 22 2.810 -3.463 10.172 191 1HE LYS 22 2HE LYS 22 1.235 -2.290 12.249 192 2HE LYS 22 1HE LYS 22 2.660 -3.019 12.987 193 1HZ LYS 22 3HZ LYS 22 3.894 -1.887 11.051 194 2HZ LYS 22 2HZ LYS 22 2.506 -0.915 10.932 195 3HZ LYS 22 1HZ LYS 22 3.407 -0.942 12.372 196 H GLU 23 H GLU 23 -0.487 -2.650 7.598 197 HA GLU 23 HA GLU 23 -1.945 -1.055 9.483 198 1HB GLU 23 2HB GLU 23 -2.204 0.415 7.220 199 2HB GLU 23 1HB GLU 23 -0.757 0.426 8.222 200 1HG GLU 23 2HG GLU 23 0.454 -0.821 6.723 201 2HG GLU 23 1HG GLU 23 -0.960 -1.704 6.142 202 H LEU 24 H LEU 24 -2.854 -2.157 6.283 203 HA LEU 24 HA LEU 24 -5.601 -1.348 6.504 204 1HB LEU 24 2HB LEU 24 -4.590 -3.558 4.712 205 2HB LEU 24 1HB LEU 24 -5.911 -2.430 4.416 206 HG LEU 24 HG LEU 24 -3.118 -1.382 4.805 207 1HD1 LEU 24 1HD1 LEU 24 -4.264 -2.668 2.335 208 2HD1 LEU 24 3HD1 LEU 24 -2.981 -1.460 2.250 209 3HD1 LEU 24 2HD1 LEU 24 -2.710 -2.974 3.114 210 1HD2 LEU 24 3HD2 LEU 24 -5.634 -0.257 4.320 211 2HD2 LEU 24 2HD2 LEU 24 -4.075 0.556 4.214 212 3HD2 LEU 24 1HD2 LEU 24 -4.790 -0.169 2.774 213 H ALA 25 H ALA 25 -3.790 -4.094 7.570 214 HA ALA 25 HA ALA 25 -4.449 -5.909 8.910 215 1HB ALA 25 1HB ALA 25 -6.240 -3.862 9.520 216 2HB ALA 25 3HB ALA 25 -7.278 -5.235 9.136 217 3HB ALA 25 2HB ALA 25 -6.059 -5.379 10.403 218 H LEU 26 H LEU 26 -4.345 -6.436 6.263 219 HA LEU 26 HA LEU 26 -6.863 -7.430 5.202 220 1HB LEU 26 2HB LEU 26 -4.083 -8.252 4.313 221 2HB LEU 26 1HB LEU 26 -5.566 -8.239 3.359 222 HG LEU 26 HG LEU 26 -4.335 -5.745 4.549 223 1HD1 LEU 26 1HD1 LEU 26 -3.330 -7.244 2.426 224 2HD1 LEU 26 3HD1 LEU 26 -4.299 -5.995 1.644 225 3HD1 LEU 26 2HD1 LEU 26 -2.998 -5.541 2.745 226 1HD2 LEU 26 1HD2 LEU 26 -6.893 -6.319 3.494 227 2HD2 LEU 26 3HD2 LEU 26 -6.219 -4.726 3.847 228 3HD2 LEU 26 2HD2 LEU 26 -6.042 -5.422 2.237 229 HA PRO 27 HA PRO 27 -6.906 -11.416 7.006 230 1HB PRO 27 2HB PRO 27 -7.913 -12.937 4.955 231 2HB PRO 27 1HB PRO 27 -8.884 -11.780 5.887 232 1HG PRO 27 2HG PRO 27 -7.840 -11.545 3.111 233 2HG PRO 27 1HG PRO 27 -9.240 -10.753 3.850 234 1HD PRO 27 2HD PRO 27 -6.691 -9.594 3.379 235 2HD PRO 27 1HD PRO 27 -8.005 -8.886 4.342 236 H GLU 28 H GLU 28 -6.528 -13.925 5.999 237 HA GLU 28 HA GLU 28 -3.627 -14.030 5.662 238 1HB GLU 28 2HB GLU 28 -4.760 -15.690 7.061 239 2HB GLU 28 1HB GLU 28 -5.735 -16.213 5.684 240 1HG GLU 28 2HG GLU 28 -4.084 -17.764 5.423 241 2HG GLU 28 1HG GLU 28 -3.228 -16.435 4.639 242 H TYR 29 H TYR 29 -6.437 -15.081 3.710 243 HA TYR 29 HA TYR 29 -4.910 -15.977 1.479 244 1HB TYR 29 2HB TYR 29 -7.016 -15.806 0.212 245 2HB TYR 29 1HB TYR 29 -7.286 -16.548 1.794 246 HD1 TYR 29 HD2 TYR 29 -7.246 -13.152 0.165 247 HD2 TYR 29 HD1 TYR 29 -8.979 -15.716 3.150 248 HE1 TYR 29 HE2 TYR 29 -8.909 -11.397 0.708 249 HE2 TYR 29 HE1 TYR 29 -10.641 -13.955 3.693 250 HH TYR 29 HH TYR 29 -10.550 -10.782 2.077 251 H TYR 30 H TYR 30 -5.409 -12.850 2.643 252 HA TYR 30 HA TYR 30 -5.733 -11.009 0.740 253 1HB TYR 30 2HB TYR 30 -4.839 -10.214 2.781 254 2HB TYR 30 1HB TYR 30 -3.403 -11.229 2.648 255 HD1 TYR 30 HD1 TYR 30 -5.058 -8.994 0.141 256 HD2 TYR 30 HD2 TYR 30 -1.556 -9.791 2.497 257 HE1 TYR 30 HE1 TYR 30 -3.860 -7.156 -1.017 258 HE2 TYR 30 HE2 TYR 30 -0.355 -7.961 1.334 259 HH TYR 30 HH TYR 30 -1.868 -5.608 -0.432 260 H GLY 31 H GLY 31 -5.234 -10.907 -1.368 261 1HA GLY 31 2HA GLY 31 -3.096 -12.508 -2.517 262 2HA GLY 31 1HA GLY 31 -4.117 -11.362 -3.395 263 H GLU 32 H GLU 32 -1.007 -11.884 -2.753 264 HA GLU 32 HA GLU 32 -0.205 -9.207 -1.891 265 1HB GLU 32 2HB GLU 32 1.321 -10.820 -1.190 266 2HB GLU 32 1HB GLU 32 1.207 -11.733 -2.690 267 1HG GLU 32 2HG GLU 32 2.231 -9.060 -3.178 268 2HG GLU 32 1HG GLU 32 3.215 -9.905 -1.988 269 H ASN 33 H ASN 33 -1.488 -8.174 -3.681 270 HA ASN 33 HA ASN 33 0.260 -7.367 -5.815 271 1HB ASN 33 2HB ASN 33 -1.549 -8.231 -7.577 272 2HB ASN 33 1HB ASN 33 -0.187 -9.242 -7.093 273 1HD2 ASN 33 2HD2 ASN 33 -2.624 -11.700 -6.314 274 2HD2 ASN 33 1HD2 ASN 33 -1.354 -11.259 -7.351 275 H LEU 34 H LEU 34 -1.269 -6.156 -7.560 276 HA LEU 34 HA LEU 34 -2.736 -4.208 -5.950 277 1HB LEU 34 2HB LEU 34 -2.360 -4.384 -8.955 278 2HB LEU 34 1HB LEU 34 -3.001 -2.995 -8.080 279 HG LEU 34 HG LEU 34 -0.739 -2.427 -8.349 280 1HD1 LEU 34 1HD1 LEU 34 -0.907 -3.918 -5.711 281 2HD1 LEU 34 3HD1 LEU 34 0.332 -2.734 -6.118 282 3HD1 LEU 34 2HD1 LEU 34 -1.351 -2.235 -5.985 283 1HD2 LEU 34 1HD2 LEU 34 -0.400 -5.120 -8.857 284 2HD2 LEU 34 3HD2 LEU 34 0.901 -3.931 -8.786 285 3HD2 LEU 34 2HD2 LEU 34 0.510 -4.897 -7.363 286 H ASP 35 H ASP 35 -3.562 -7.133 -7.407 287 HA ASP 35 HA ASP 35 -6.282 -6.353 -8.167 288 1HB ASP 35 2HB ASP 35 -6.322 -9.095 -7.883 289 2HB ASP 35 1HB ASP 35 -6.021 -8.234 -9.387 290 H ALA 36 H ALA 36 -4.842 -8.403 -5.604 291 HA ALA 36 HA ALA 36 -7.362 -8.559 -4.167 292 1HB ALA 36 1HB ALA 36 -5.496 -10.284 -4.045 293 2HB ALA 36 3HB ALA 36 -4.601 -9.123 -3.063 294 3HB ALA 36 2HB ALA 36 -6.141 -9.769 -2.487 295 H LEU 37 H LEU 37 -4.535 -6.550 -4.113 296 HA LEU 37 HA LEU 37 -5.113 -5.208 -1.614 297 1HB LEU 37 2HB LEU 37 -2.866 -5.130 -2.586 298 2HB LEU 37 1HB LEU 37 -3.498 -4.320 -4.018 299 HG LEU 37 HG LEU 37 -4.416 -2.849 -1.766 300 1HD1 LEU 37 2HD1 LEU 37 -1.496 -3.640 -1.656 301 2HD1 LEU 37 1HD1 LEU 37 -2.104 -2.167 -0.899 302 3HD1 LEU 37 3HD1 LEU 37 -2.697 -3.742 -0.367 303 1HD2 LEU 37 3HD2 LEU 37 -3.622 -2.277 -4.233 304 2HD2 LEU 37 2HD2 LEU 37 -3.515 -1.066 -2.954 305 3HD2 LEU 37 1HD2 LEU 37 -2.079 -1.974 -3.432 306 H TRP 38 H TRP 38 -5.564 -4.294 -5.035 307 HA TRP 38 HA TRP 38 -7.080 -1.919 -4.545 308 1HB TRP 38 2HB TRP 38 -6.188 -2.454 -6.765 309 2HB TRP 38 1HB TRP 38 -7.116 -3.939 -6.794 310 HD1 TRP 38 HD1 TRP 38 -9.102 -3.831 -8.190 311 HE1 TRP 38 HE1 TRP 38 -10.804 -2.058 -8.968 312 HE3 TRP 38 HE3 TRP 38 -7.278 0.270 -5.762 313 HZ2 TRP 38 HZ2 TRP 38 -11.304 0.730 -8.620 314 HZ3 TRP 38 HZ3 TRP 38 -8.366 2.473 -6.021 315 HH2 TRP 38 HH2 TRP 38 -10.383 2.707 -7.442 316 H ASP 39 H ASP 39 -7.857 -5.299 -4.769 317 HA ASP 39 HA ASP 39 -10.712 -5.042 -4.631 318 1HB ASP 39 2HB ASP 39 -8.742 -7.202 -4.398 319 2HB ASP 39 1HB ASP 39 -10.150 -7.432 -3.360 320 H ALA 40 H ALA 40 -8.162 -5.004 -2.258 321 HA ALA 40 HA ALA 40 -10.020 -5.163 0.015 322 1HB ALA 40 3HB ALA 40 -7.572 -5.937 0.055 323 2HB ALA 40 2HB ALA 40 -7.148 -4.226 0.132 324 3HB ALA 40 1HB ALA 40 -8.112 -4.955 1.420 325 H LEU 41 H LEU 41 -7.637 -2.643 -0.850 326 HA LEU 41 HA LEU 41 -8.566 -0.493 0.543 327 1HB LEU 41 2HB LEU 41 -7.472 -0.706 -2.233 328 2HB LEU 41 1HB LEU 41 -8.063 0.858 -1.670 329 HG LEU 41 HG LEU 41 -6.245 -0.678 0.137 330 1HD1 LEU 41 1HD1 LEU 41 -5.174 -0.801 -2.117 331 2HD1 LEU 41 3HD1 LEU 41 -5.271 0.958 -2.231 332 3HD1 LEU 41 2HD1 LEU 41 -4.261 0.207 -0.992 333 1HD2 LEU 41 3HD2 LEU 41 -7.295 1.489 0.773 334 2HD2 LEU 41 2HD2 LEU 41 -5.534 1.569 0.751 335 3HD2 LEU 41 1HD2 LEU 41 -6.465 2.254 -0.581 336 H THR 42 H THR 42 -9.877 -1.633 -2.493 337 HA THR 42 HA THR 42 -12.103 0.274 -2.411 338 HB THR 42 HB THR 42 -12.780 -0.661 -4.486 339 HG1 THR 42 HG1 THR 42 -11.869 -2.704 -5.147 340 1HG2 THR 42 3HG2 THR 42 -9.796 -0.684 -4.093 341 2HG2 THR 42 2HG2 THR 42 -10.500 -1.064 -5.665 342 3HG2 THR 42 1HG2 THR 42 -10.793 0.510 -4.925 343 H GLY 43 H GLY 43 -12.074 -1.297 -0.025 344 1HA GLY 43 2HA GLY 43 -14.534 -1.928 0.662 345 2HA GLY 43 1HA GLY 43 -14.253 -3.270 -0.450 346 H TRP 44 H TRP 44 -11.947 -1.840 1.922 347 HA TRP 44 HA TRP 44 -12.296 -3.956 3.848 348 1HB TRP 44 2HB TRP 44 -11.276 -5.374 2.133 349 2HB TRP 44 1HB TRP 44 -9.939 -4.234 1.961 350 HD1 TRP 44 HD1 TRP 44 -8.582 -3.744 4.394 351 HE1 TRP 44 HE1 TRP 44 -7.863 -5.477 6.163 352 HE3 TRP 44 HE3 TRP 44 -11.684 -7.600 3.159 353 HZ2 TRP 44 HZ2 TRP 44 -8.522 -8.148 6.950 354 HZ3 TRP 44 HZ3 TRP 44 -11.623 -9.726 4.432 355 HH2 TRP 44 HH2 TRP 44 -10.044 -10.005 6.325 356 H VAL 45 H VAL 45 -9.909 -1.847 2.343 357 HA VAL 45 HA VAL 45 -8.263 -1.356 4.559 358 HB VAL 45 HB VAL 45 -9.030 0.183 2.114 359 1HG1 VAL 45 3HG1 VAL 45 -7.368 1.179 4.414 360 2HG1 VAL 45 2HG1 VAL 45 -7.182 1.799 2.774 361 3HG1 VAL 45 1HG1 VAL 45 -8.724 1.972 3.612 362 1HG2 VAL 45 3HG2 VAL 45 -6.637 -1.299 3.159 363 2HG2 VAL 45 2HG2 VAL 45 -7.459 -1.483 1.615 364 3HG2 VAL 45 1HG2 VAL 45 -6.427 -0.082 1.903 365 H GLU 46 H GLU 46 -11.399 -0.060 3.794 366 HA GLU 46 HA GLU 46 -12.889 1.160 5.153 367 1HB GLU 46 2HB GLU 46 -11.541 -0.252 6.955 368 2HB GLU 46 1HB GLU 46 -10.861 1.328 7.346 369 1HG GLU 46 2HG GLU 46 -13.172 2.232 7.575 370 2HG GLU 46 1HG GLU 46 -13.808 0.613 7.282 371 H TYR 47 H TYR 47 -13.173 3.286 4.731 372 HA TYR 47 HA TYR 47 -10.784 5.082 4.863 373 1HB TYR 47 2HB TYR 47 -13.177 5.198 2.999 374 2HB TYR 47 1HB TYR 47 -11.825 6.331 2.991 375 HD1 TYR 47 HD2 TYR 47 -9.465 4.691 3.365 376 HD2 TYR 47 HD1 TYR 47 -13.020 3.847 1.094 377 HE1 TYR 47 HE2 TYR 47 -8.181 3.132 1.925 378 HE2 TYR 47 HE1 TYR 47 -11.725 2.295 -0.345 379 HH TYR 47 HH TYR 47 -9.521 1.804 -0.987 380 HA PRO 48 HA PRO 48 -11.021 7.484 4.063 381 1HB PRO 48 2HB PRO 48 -9.997 9.485 5.642 382 2HB PRO 48 1HB PRO 48 -11.433 9.666 4.614 383 1HG PRO 48 2HG PRO 48 -11.271 9.318 7.581 384 2HG PRO 48 1HG PRO 48 -12.484 10.176 6.615 385 1HD PRO 48 2HD PRO 48 -12.836 7.630 7.730 386 2HD PRO 48 1HD PRO 48 -13.795 8.298 6.389 387 H LEU 49 H LEU 49 -8.807 7.094 3.892 388 HA LEU 49 HA LEU 49 -7.498 5.927 6.319 389 1HB LEU 49 2HB LEU 49 -7.830 4.083 4.918 390 2HB LEU 49 1HB LEU 49 -7.615 5.034 3.453 391 HG LEU 49 HG LEU 49 -5.141 5.308 4.334 392 1HD1 LEU 49 1HD1 LEU 49 -6.302 3.125 6.010 393 2HD1 LEU 49 3HD1 LEU 49 -4.656 2.918 5.410 394 3HD1 LEU 49 2HD1 LEU 49 -5.059 4.309 6.417 395 1HD2 LEU 49 3HD2 LEU 49 -6.489 3.487 2.619 396 2HD2 LEU 49 2HD2 LEU 49 -4.817 4.037 2.526 397 3HD2 LEU 49 1HD2 LEU 49 -5.222 2.596 3.462 398 H VAL 50 H VAL 50 -5.135 6.196 6.378 399 HA VAL 50 HA VAL 50 -4.200 8.527 4.746 400 HB VAL 50 HB VAL 50 -4.173 8.053 7.649 401 1HG1 VAL 50 3HG1 VAL 50 -1.593 8.630 6.200 402 2HG1 VAL 50 2HG1 VAL 50 -1.887 9.297 7.806 403 3HG1 VAL 50 1HG1 VAL 50 -1.875 7.550 7.566 404 1HG2 VAL 50 1HG2 VAL 50 -5.003 10.038 6.141 405 2HG2 VAL 50 3HG2 VAL 50 -4.280 10.380 7.713 406 3HG2 VAL 50 2HG2 VAL 50 -3.322 10.562 6.243 407 H LEU 51 H LEU 51 -2.990 7.476 3.158 408 HA LEU 51 HA LEU 51 -1.353 5.136 3.867 409 1HB LEU 51 2HB LEU 51 -2.500 5.346 1.640 410 2HB LEU 51 1HB LEU 51 -1.428 6.701 1.272 411 HG LEU 51 HG LEU 51 0.496 5.033 1.818 412 1HD1 LEU 51 1HD1 LEU 51 -1.697 3.377 2.314 413 2HD1 LEU 51 3HD1 LEU 51 -1.058 2.837 0.755 414 3HD1 LEU 51 2HD1 LEU 51 -0.009 2.878 2.179 415 1HD2 LEU 51 2HD2 LEU 51 -1.254 4.983 -0.624 416 2HD2 LEU 51 1HD2 LEU 51 0.325 5.746 -0.419 417 3HD2 LEU 51 3HD2 LEU 51 0.193 3.991 -0.531 418 H GLU 52 H GLU 52 -0.176 6.621 5.507 419 HA GLU 52 HA GLU 52 1.634 8.646 4.589 420 1HB GLU 52 2HB GLU 52 1.144 8.560 6.932 421 2HB GLU 52 1HB GLU 52 1.611 6.862 7.034 422 1HG GLU 52 2HG GLU 52 3.838 7.349 7.144 423 2HG GLU 52 1HG GLU 52 3.704 8.688 6.004 424 H TRP 53 H TRP 53 2.605 7.640 2.659 425 HA TRP 53 HA TRP 53 4.205 5.223 2.991 426 1HB TRP 53 2HB TRP 53 3.011 6.193 0.835 427 2HB TRP 53 1HB TRP 53 4.544 7.051 0.643 428 HD1 TRP 53 HD1 TRP 53 6.755 5.206 1.175 429 HE1 TRP 53 HE1 TRP 53 7.070 2.914 0.043 430 HE3 TRP 53 HE3 TRP 53 1.981 4.336 -0.395 431 HZ2 TRP 53 HZ2 TRP 53 5.496 0.969 -1.326 432 HZ3 TRP 53 HZ3 TRP 53 1.408 2.254 -1.598 433 HH2 TRP 53 HH2 TRP 53 3.169 0.565 -2.074 434 H ARG 54 H ARG 54 6.001 5.463 4.278 435 HA ARG 54 HA ARG 54 7.499 7.956 4.392 436 1HB ARG 54 2HB ARG 54 8.408 5.237 5.367 437 2HB ARG 54 1HB ARG 54 8.935 6.818 5.943 438 1HG ARG 54 2HG ARG 54 6.386 7.168 6.472 439 2HG ARG 54 1HG ARG 54 6.331 5.406 6.422 440 1HD ARG 54 2HD ARG 54 6.796 6.488 8.712 441 2HD ARG 54 1HD ARG 54 7.879 5.192 8.205 442 HE ARG 54 HE ARG 54 9.614 6.774 8.238 443 1HH1 ARG 54 2HH1 ARG 54 9.759 8.635 6.442 444 2HH1 ARG 54 1HH1 ARG 54 9.001 10.087 7.005 445 1HH2 ARG 54 1HH2 ARG 54 7.249 8.502 9.543 446 2HH2 ARG 54 2HH2 ARG 54 7.579 10.012 8.760 447 H GLN 55 H GLN 55 9.356 8.479 3.285 448 HA GLN 55 HA GLN 55 11.059 8.333 1.684 449 1HB GLN 55 2HB GLN 55 10.807 5.391 2.367 450 2HB GLN 55 1HB GLN 55 12.083 6.070 1.357 451 1HG GLN 55 2HG GLN 55 11.737 7.513 3.885 452 2HG GLN 55 1HG GLN 55 12.189 5.823 4.110 453 1HE2 GLN 55 2HE2 GLN 55 14.787 8.199 1.964 454 2HE2 GLN 55 1HE2 GLN 55 13.120 8.509 1.868 455 H PHE 56 H PHE 56 9.741 5.179 0.842 456 HA PHE 56 HA PHE 56 8.370 4.520 -0.970 457 1HB PHE 56 2HB PHE 56 7.181 6.736 -0.793 458 2HB PHE 56 1HB PHE 56 8.400 7.417 -1.870 459 HD1 PHE 56 HD1 PHE 56 5.808 4.744 -1.628 460 HD2 PHE 56 HD2 PHE 56 8.297 7.110 -4.207 461 HE1 PHE 56 HE1 PHE 56 4.595 3.871 -3.599 462 HE2 PHE 56 HE2 PHE 56 7.084 6.238 -6.178 463 HZ PHE 56 HZ PHE 56 5.231 4.616 -5.879 464 H GLU 57 H GLU 57 10.884 6.962 -1.635 465 HA GLU 57 HA GLU 57 11.557 6.129 -4.255 466 1HB GLU 57 2HB GLU 57 12.455 8.177 -3.167 467 2HB GLU 57 1HB GLU 57 13.436 7.163 -2.109 468 1HG GLU 57 2HG GLU 57 14.873 6.537 -3.805 469 2HG GLU 57 1HG GLU 57 13.643 6.713 -5.056 470 H GLN 58 H GLN 58 13.398 5.283 -1.295 471 HA GLN 58 HA GLN 58 14.695 3.052 -2.608 472 1HB GLN 58 2HB GLN 58 15.355 2.461 -0.209 473 2HB GLN 58 1HB GLN 58 15.866 4.051 -0.778 474 1HG GLN 58 2HG GLN 58 14.146 5.158 0.428 475 2HG GLN 58 1HG GLN 58 13.263 3.655 0.701 476 1HE2 GLN 58 2HE2 GLN 58 16.437 4.599 3.109 477 2HE2 GLN 58 1HE2 GLN 58 16.170 5.474 1.679 478 H SER 59 H SER 59 14.288 0.826 -2.298 479 HA SER 59 HA SER 59 13.061 -1.098 -1.650 480 1HB SER 59 2HB SER 59 12.320 0.554 0.337 481 2HB SER 59 1HB SER 59 10.791 0.480 -0.540 482 HG SER 59 HG SER 59 11.060 -1.849 -0.468 483 H LYS 60 H LYS 60 11.733 1.686 -3.245 484 HA LYS 60 HA LYS 60 9.460 0.266 -4.411 485 1HB LYS 60 2HB LYS 60 9.290 2.665 -4.060 486 2HB LYS 60 1HB LYS 60 10.750 2.938 -5.021 487 1HG LYS 60 2HG LYS 60 8.908 1.371 -6.568 488 2HG LYS 60 1HG LYS 60 8.061 2.787 -5.945 489 1HD LYS 60 2HD LYS 60 10.698 2.831 -7.443 490 2HD LYS 60 1HD LYS 60 9.131 3.287 -8.111 491 1HE LYS 60 2HE LYS 60 8.987 5.221 -6.805 492 2HE LYS 60 1HE LYS 60 10.121 4.608 -5.601 493 1HZ LYS 60 3HZ LYS 60 11.866 4.738 -7.338 494 2HZ LYS 60 2HZ LYS 60 10.749 5.515 -8.355 495 3HZ LYS 60 1HZ LYS 60 11.228 6.247 -6.898 496 H GLN 61 H GLN 61 12.540 1.583 -5.644 497 HA GLN 61 HA GLN 61 12.222 0.201 -8.209 498 1HB GLN 61 2HB GLN 61 13.421 2.446 -7.778 499 2HB GLN 61 1HB GLN 61 14.744 1.463 -7.149 500 1HG GLN 61 2HG GLN 61 13.681 0.560 -9.751 501 2HG GLN 61 1HG GLN 61 14.455 2.145 -9.789 502 1HE2 GLN 61 2HE2 GLN 61 16.858 -0.948 -9.923 503 2HE2 GLN 61 1HE2 GLN 61 15.268 -0.871 -10.513 504 H LEU 62 H LEU 62 13.418 -0.517 -5.134 505 HA LEU 62 HA LEU 62 15.501 -2.378 -5.850 506 1HB LEU 62 2HB LEU 62 13.895 -1.914 -3.329 507 2HB LEU 62 1HB LEU 62 15.152 -3.149 -3.438 508 HG LEU 62 HG LEU 62 16.850 -1.507 -3.869 509 1HD1 LEU 62 1HD1 LEU 62 14.558 0.474 -4.101 510 2HD1 LEU 62 3HD1 LEU 62 16.261 0.928 -4.041 511 3HD1 LEU 62 2HD1 LEU 62 15.653 -0.029 -5.390 512 1HD2 LEU 62 1HD2 LEU 62 14.910 -0.821 -1.676 513 2HD2 LEU 62 3HD2 LEU 62 16.506 -1.563 -1.550 514 3HD2 LEU 62 2HD2 LEU 62 16.358 0.157 -1.913 515 H THR 63 H THR 63 12.223 -2.556 -6.343 516 HA THR 63 HA THR 63 12.286 -5.544 -6.163 517 HB THR 63 HB THR 63 10.591 -5.032 -4.659 518 HG1 THR 63 HG1 THR 63 8.573 -4.922 -6.091 519 1HG2 THR 63 1HG2 THR 63 10.240 -2.587 -6.348 520 2HG2 THR 63 3HG2 THR 63 8.936 -3.099 -5.280 521 3HG2 THR 63 2HG2 THR 63 10.520 -2.708 -4.613 522 H GLU 64 H GLU 64 9.678 -3.766 -7.663 523 HA GLU 64 HA GLU 64 10.671 -3.665 -10.331 524 1HB GLU 64 2HB GLU 64 9.331 -5.592 -11.247 525 2HB GLU 64 1HB GLU 64 10.693 -6.101 -10.248 526 1HG GLU 64 2HG GLU 64 9.334 -7.070 -8.729 527 2HG GLU 64 1HG GLU 64 8.295 -5.646 -8.654 528 H ASN 65 H ASN 65 9.287 -1.935 -8.746 529 HA ASN 65 HA ASN 65 7.502 -0.415 -9.106 530 1HB ASN 65 2HB ASN 65 6.108 -2.557 -10.705 531 2HB ASN 65 1HB ASN 65 5.852 -0.815 -10.764 532 1HD2 ASN 65 2HD2 ASN 65 9.289 -0.534 -12.327 533 2HD2 ASN 65 1HD2 ASN 65 8.668 -0.057 -10.820 534 H GLY 66 H GLY 66 7.792 -2.879 -7.241 535 1HA GLY 66 2HA GLY 66 5.190 -3.820 -6.565 536 2HA GLY 66 1HA GLY 66 6.565 -3.776 -5.454 537 H ALA 67 H ALA 67 7.089 -1.407 -4.706 538 HA ALA 67 HA ALA 67 4.878 -0.433 -3.211 539 1HB ALA 67 3HB ALA 67 7.437 0.954 -4.057 540 2HB ALA 67 2HB ALA 67 6.299 1.619 -2.886 541 3HB ALA 67 1HB ALA 67 7.142 0.109 -2.537 542 H GLU 68 H GLU 68 6.254 0.768 -6.279 543 HA GLU 68 HA GLU 68 4.509 2.970 -6.585 544 1HB GLU 68 2HB GLU 68 6.606 2.251 -7.973 545 2HB GLU 68 1HB GLU 68 5.436 1.358 -8.946 546 1HG GLU 68 2HG GLU 68 4.222 3.357 -9.477 547 2HG GLU 68 1HG GLU 68 5.123 4.295 -8.286 548 H SER 69 H SER 69 3.966 -0.441 -6.988 549 HA SER 69 HA SER 69 1.560 -0.078 -8.620 550 1HB SER 69 2HB SER 69 3.197 -2.312 -7.699 551 2HB SER 69 1HB SER 69 1.478 -2.649 -7.550 552 HG SER 69 HG SER 69 3.028 -2.471 -9.764 553 H VAL 70 H VAL 70 2.136 -1.226 -5.242 554 HA VAL 70 HA VAL 70 -0.553 -1.391 -4.464 555 HB VAL 70 HB VAL 70 1.907 -0.500 -2.928 556 1HG1 VAL 70 3HG1 VAL 70 -0.959 -0.707 -1.939 557 2HG1 VAL 70 2HG1 VAL 70 0.439 -0.666 -0.866 558 3HG1 VAL 70 1HG1 VAL 70 0.081 0.717 -1.895 559 1HG2 VAL 70 2HG2 VAL 70 1.141 -2.982 -3.671 560 2HG2 VAL 70 1HG2 VAL 70 1.989 -2.667 -2.156 561 3HG2 VAL 70 3HG2 VAL 70 0.234 -2.845 -2.165 562 H LEU 71 H LEU 71 1.636 1.280 -4.885 563 HA LEU 71 HA LEU 71 -0.129 3.252 -3.840 564 1HB LEU 71 2HB LEU 71 2.433 3.393 -4.288 565 2HB LEU 71 1HB LEU 71 1.948 3.855 -5.922 566 HG LEU 71 HG LEU 71 0.746 5.759 -5.124 567 1HD1 LEU 71 2HD1 LEU 71 0.928 4.318 -2.525 568 2HD1 LEU 71 1HD1 LEU 71 0.921 6.085 -2.475 569 3HD1 LEU 71 3HD1 LEU 71 -0.426 5.217 -3.226 570 1HD2 LEU 71 1HD2 LEU 71 3.476 5.424 -4.733 571 2HD2 LEU 71 3HD2 LEU 71 2.616 6.962 -4.749 572 3HD2 LEU 71 2HD2 LEU 71 2.921 6.139 -3.219 573 H GLN 72 H GLN 72 0.514 2.083 -7.161 574 HA GLN 72 HA GLN 72 -1.139 3.907 -8.522 575 1HB GLN 72 2HB GLN 72 -0.350 1.070 -8.964 576 2HB GLN 72 1HB GLN 72 -1.749 1.650 -9.869 577 1HG GLN 72 2HG GLN 72 -0.334 3.635 -10.575 578 2HG GLN 72 1HG GLN 72 1.053 2.797 -9.879 579 1HE2 GLN 72 2HE2 GLN 72 0.519 0.012 -12.330 580 2HE2 GLN 72 1HE2 GLN 72 0.485 0.127 -10.637 581 H VAL 73 H VAL 73 -1.924 1.199 -6.496 582 HA VAL 73 HA VAL 73 -4.801 1.334 -7.057 583 HB VAL 73 HB VAL 73 -3.168 -0.249 -5.068 584 1HG1 VAL 73 2HG1 VAL 73 -5.777 0.378 -4.659 585 2HG1 VAL 73 1HG1 VAL 73 -5.961 -1.009 -5.724 586 3HG1 VAL 73 3HG1 VAL 73 -5.088 -1.176 -4.208 587 1HG2 VAL 73 1HG2 VAL 73 -3.612 -0.458 -7.823 588 2HG2 VAL 73 3HG2 VAL 73 -2.949 -1.705 -6.767 589 3HG2 VAL 73 2HG2 VAL 73 -4.684 -1.662 -7.105 590 H PHE 74 H PHE 74 -2.730 2.205 -4.260 591 HA PHE 74 HA PHE 74 -4.778 2.985 -2.527 592 1HB PHE 74 2HB PHE 74 -1.889 3.574 -2.851 593 2HB PHE 74 1HB PHE 74 -2.817 4.728 -1.909 594 HD1 PHE 74 HD1 PHE 74 -1.678 1.244 -2.128 595 HD2 PHE 74 HD2 PHE 74 -3.863 4.103 0.200 596 HE1 PHE 74 HE1 PHE 74 -1.642 -0.313 -0.205 597 HE2 PHE 74 HE2 PHE 74 -3.821 2.537 2.125 598 HZ PHE 74 HZ PHE 74 -2.719 0.348 1.916 599 H ARG 75 H ARG 75 -2.800 4.923 -4.734 600 HA ARG 75 HA ARG 75 -4.322 7.321 -4.562 601 1HB ARG 75 2HB ARG 75 -2.392 6.171 -6.555 602 2HB ARG 75 1HB ARG 75 -3.331 7.593 -7.005 603 1HG ARG 75 2HG ARG 75 -2.541 8.718 -4.913 604 2HG ARG 75 1HG ARG 75 -1.507 7.323 -4.599 605 1HD ARG 75 2HD ARG 75 -0.031 8.740 -5.716 606 2HD ARG 75 1HD ARG 75 -0.653 7.763 -7.047 607 HE ARG 75 HE ARG 75 -2.181 9.661 -7.582 608 1HH1 ARG 75 1HH2 ARG 75 -1.268 10.776 -4.721 609 2HH1 ARG 75 2HH2 ARG 75 -0.465 12.215 -5.255 610 1HH2 ARG 75 2HH1 ARG 75 -0.403 11.261 -8.588 611 2HH2 ARG 75 1HH1 ARG 75 0.025 12.490 -7.445 612 H GLU 76 H GLU 76 -4.565 4.482 -6.784 613 HA GLU 76 HA GLU 76 -6.653 5.544 -8.419 614 1HB GLU 76 2HB GLU 76 -5.621 2.851 -7.741 615 2HB GLU 76 1HB GLU 76 -7.289 2.903 -8.311 616 1HG GLU 76 2HG GLU 76 -6.678 3.909 -10.361 617 2HG GLU 76 1HG GLU 76 -5.081 4.353 -9.761 618 H ALA 77 H ALA 77 -6.621 4.413 -5.175 619 HA ALA 77 HA ALA 77 -9.501 3.973 -4.957 620 1HB ALA 77 3HB ALA 77 -7.639 2.858 -3.551 621 2HB ALA 77 2HB ALA 77 -7.530 4.390 -2.687 622 3HB ALA 77 1HB ALA 77 -9.033 3.467 -2.659 623 H LYS 78 H LYS 78 -7.247 6.411 -3.565 624 HA LYS 78 HA LYS 78 -9.309 8.134 -2.632 625 1HB LYS 78 2HB LYS 78 -7.559 9.675 -2.240 626 2HB LYS 78 1HB LYS 78 -6.797 8.102 -2.057 627 1HG LYS 78 2HG LYS 78 -5.280 8.823 -3.569 628 2HG LYS 78 1HG LYS 78 -6.553 8.621 -4.774 629 1HD LYS 78 2HD LYS 78 -5.765 10.864 -5.027 630 2HD LYS 78 1HD LYS 78 -7.306 10.986 -4.177 631 1HE LYS 78 2HE LYS 78 -6.012 12.338 -2.819 632 2HE LYS 78 1HE LYS 78 -5.732 10.782 -2.038 633 1HZ LYS 78 3HZ LYS 78 -3.985 11.495 -4.262 634 2HZ LYS 78 2HZ LYS 78 -3.765 12.345 -2.807 635 3HZ LYS 78 1HZ LYS 78 -3.632 10.651 -2.834 636 H ALA 79 H ALA 79 -8.253 7.387 -5.776 637 HA ALA 79 HA ALA 79 -9.056 9.977 -6.957 638 1HB ALA 79 1HB ALA 79 -7.266 7.979 -7.718 639 2HB ALA 79 3HB ALA 79 -8.641 7.741 -8.799 640 3HB ALA 79 2HB ALA 79 -7.819 9.306 -8.738 641 H GLU 80 H GLU 80 -9.792 6.651 -7.877 642 HA GLU 80 HA GLU 80 -12.155 7.051 -9.227 643 1HB GLU 80 2HB GLU 80 -11.641 4.742 -7.335 644 2HB GLU 80 1HB GLU 80 -12.684 4.748 -8.754 645 1HG GLU 80 2HG GLU 80 -10.003 5.640 -9.422 646 2HG GLU 80 1HG GLU 80 -9.991 4.027 -8.707 647 H GLY 81 H GLY 81 -12.029 6.194 -5.716 648 1HA GLY 81 2HA GLY 81 -14.175 8.115 -5.184 649 2HA GLY 81 1HA GLY 81 -14.725 6.439 -5.116 650 H ALA 82 H ALA 82 -12.242 5.384 -4.049 651 HA ALA 82 HA ALA 82 -12.660 5.294 -1.352 652 1HB ALA 82 2HB ALA 82 -10.626 4.475 -3.000 653 2HB ALA 82 1HB ALA 82 -9.804 5.644 -1.964 654 3HB ALA 82 3HB ALA 82 -10.642 4.267 -1.250 655 H ASP 83 H ASP 83 -11.851 6.425 0.496 656 HA ASP 83 HA ASP 83 -11.232 9.302 -0.034 657 1HB ASP 83 2HB ASP 83 -13.188 8.117 1.615 658 2HB ASP 83 1HB ASP 83 -11.938 8.696 2.717 659 H ILE 84 H ILE 84 -9.047 7.983 -0.381 660 HA ILE 84 HA ILE 84 -7.672 7.602 2.229 661 HB ILE 84 HB ILE 84 -6.970 6.767 -0.597 662 1HG1 ILE 84 2HG1 ILE 84 -7.234 4.873 1.658 663 2HG1 ILE 84 1HG1 ILE 84 -8.725 5.636 1.105 664 1HG2 ILE 84 2HG2 ILE 84 -4.937 7.357 0.737 665 2HG2 ILE 84 1HG2 ILE 84 -5.472 6.228 1.985 666 3HG2 ILE 84 3HG2 ILE 84 -5.034 5.631 0.381 667 1HD1 ILE 84 2HD1 ILE 84 -6.859 4.591 -0.968 668 2HD1 ILE 84 1HD1 ILE 84 -7.781 3.414 -0.036 669 3HD1 ILE 84 3HD1 ILE 84 -8.620 4.650 -0.967 670 H THR 85 H THR 85 -5.468 8.442 2.416 671 HA THR 85 HA THR 85 -5.021 10.930 0.823 672 HB THR 85 HB THR 85 -4.363 10.469 3.753 673 HG1 THR 85 HG1 THR 85 -6.397 11.927 2.435 674 1HG2 THR 85 2HG2 THR 85 -3.946 12.768 1.846 675 2HG2 THR 85 1HG2 THR 85 -4.006 13.016 3.591 676 3HG2 THR 85 3HG2 THR 85 -2.761 11.982 2.890 677 H ILE 86 H ILE 86 -3.513 9.999 -0.581 678 HA ILE 86 HA ILE 86 -1.423 8.252 0.414 679 HB ILE 86 HB ILE 86 -2.330 9.263 -2.199 680 1HG1 ILE 86 2HG1 ILE 86 -1.984 6.985 -2.830 681 2HG1 ILE 86 1HG1 ILE 86 -0.872 6.709 -1.494 682 1HG2 ILE 86 1HG2 ILE 86 0.607 8.740 -1.664 683 2HG2 ILE 86 3HG2 ILE 86 -0.110 8.638 -3.272 684 3HG2 ILE 86 2HG2 ILE 86 -0.113 10.172 -2.401 685 1HD1 ILE 86 2HD1 ILE 86 -3.351 7.632 -0.397 686 2HD1 ILE 86 1HD1 ILE 86 -3.706 6.336 -1.537 687 3HD1 ILE 86 3HD1 ILE 86 -2.597 6.049 -0.195 688 H ILE 87 H ILE 87 0.257 8.964 1.549 689 HA ILE 87 HA ILE 87 0.995 11.802 1.525 690 HB ILE 87 HB ILE 87 2.092 9.379 2.961 691 1HG1 ILE 87 2HG1 ILE 87 1.181 10.501 4.933 692 2HG1 ILE 87 1HG1 ILE 87 0.722 11.896 3.956 693 1HG2 ILE 87 2HG2 ILE 87 3.093 12.229 2.899 694 2HG2 ILE 87 1HG2 ILE 87 3.420 11.152 4.257 695 3HG2 ILE 87 3HG2 ILE 87 4.014 10.746 2.647 696 1HD1 ILE 87 1HD1 ILE 87 -0.303 9.122 3.342 697 2HD1 ILE 87 3HD1 ILE 87 -1.131 10.188 4.479 698 3HD1 ILE 87 2HD1 ILE 87 -0.945 10.671 2.792 699 H LEU 88 H LEU 88 2.860 8.804 0.884 700 HA LEU 88 HA LEU 88 4.604 8.416 -0.635 701 1HB LEU 88 2HB LEU 88 3.043 10.619 -1.881 702 2HB LEU 88 1HB LEU 88 4.687 10.389 -2.477 703 HG LEU 88 HG LEU 88 2.672 8.144 -2.224 704 1HD1 LEU 88 1HD1 LEU 88 2.499 10.238 -4.005 705 2HD1 LEU 88 3HD1 LEU 88 3.448 9.058 -4.911 706 3HD1 LEU 88 2HD1 LEU 88 1.856 8.620 -4.288 707 1HD2 LEU 88 1HD2 LEU 88 5.508 8.398 -3.011 708 2HD2 LEU 88 3HD2 LEU 88 4.623 6.985 -2.434 709 3HD2 LEU 88 2HD2 LEU 88 4.519 7.460 -4.130 710 H SER 89 HN SER 89 4.888 11.860 -1.198 711 HA SER 89 HA SER 89 6.499 13.414 -0.478 712 1HB SER 89 2HB SER 89 5.793 12.355 1.816 713 2HB SER 89 1HB SER 89 7.345 11.523 1.704 714 HG SER 89 HG SER 89 7.562 13.516 2.773 No H/Q in entry = 714 Start of MODEL 30 1 1H LYS 1 2H LYS 1 -8.526 6.286 9.031 2 2H LYS 1 1H LYS 1 -8.937 4.963 8.048 3 3H LYS 1 3H LYS 1 -9.503 5.039 9.646 4 HA LYS 1 HA LYS 1 -7.437 4.576 10.560 5 1HB LYS 1 2HB LYS 1 -8.577 2.826 8.783 6 2HB LYS 1 1HB LYS 1 -6.936 2.949 8.150 7 1HG LYS 1 2HG LYS 1 -6.590 1.292 9.715 8 2HG LYS 1 1HG LYS 1 -6.326 2.702 10.743 9 1HD LYS 1 2HD LYS 1 -8.161 2.257 11.980 10 2HD LYS 1 1HD LYS 1 -9.155 2.014 10.542 11 1HE LYS 1 2HE LYS 1 -8.822 -0.251 10.527 12 2HE LYS 1 1HE LYS 1 -7.170 -0.115 11.131 13 1HZ LYS 1 3HZ LYS 1 -9.228 0.716 12.987 14 2HZ LYS 1 2HZ LYS 1 -9.245 -0.939 12.601 15 3HZ LYS 1 1HZ LYS 1 -7.845 -0.230 13.250 16 H LYS 2 H LYS 2 -5.024 3.902 9.766 17 HA LYS 2 HA LYS 2 -4.104 5.782 7.687 18 1HB LYS 2 2HB LYS 2 -2.809 7.138 9.035 19 2HB LYS 2 1HB LYS 2 -4.149 6.811 10.126 20 1HG LYS 2 2HG LYS 2 -2.890 5.133 11.304 21 2HG LYS 2 1HG LYS 2 -1.610 5.160 10.093 22 1HD LYS 2 2HD LYS 2 -2.365 7.572 11.751 23 2HD LYS 2 1HD LYS 2 -1.078 6.450 12.196 24 1HE LYS 2 2HE LYS 2 -1.148 8.485 10.034 25 2HE LYS 2 1HE LYS 2 0.216 7.902 10.986 26 1HZ LYS 2 3HZ LYS 2 0.084 5.810 9.695 27 2HZ LYS 2 2HZ LYS 2 -1.084 6.535 8.697 28 3HZ LYS 2 1HZ LYS 2 0.493 7.164 8.759 29 H ALA 3 H ALA 3 -2.710 4.729 6.443 30 HA ALA 3 HA ALA 3 -1.241 2.395 7.566 31 1HB ALA 3 3HB ALA 3 -2.668 2.817 5.132 32 2HB ALA 3 2HB ALA 3 -0.964 2.626 4.719 33 3HB ALA 3 1HB ALA 3 -1.796 1.368 5.636 34 H VAL 4 H VAL 4 1.052 2.293 7.256 35 HA VAL 4 HA VAL 4 2.299 4.774 6.167 36 HB VAL 4 HB VAL 4 2.815 3.473 8.847 37 1HG1 VAL 4 1HG1 VAL 4 4.724 4.680 7.032 38 2HG1 VAL 4 3HG1 VAL 4 4.571 5.650 8.497 39 3HG1 VAL 4 2HG1 VAL 4 5.007 3.945 8.610 40 1HG2 VAL 4 1HG2 VAL 4 1.185 5.536 8.159 41 2HG2 VAL 4 3HG2 VAL 4 1.988 5.423 9.724 42 3HG2 VAL 4 2HG2 VAL 4 2.689 6.411 8.443 43 H ILE 5 H ILE 5 3.920 4.351 4.797 44 HA ILE 5 HA ILE 5 4.890 1.554 4.554 45 HB ILE 5 HB ILE 5 5.418 3.851 2.661 46 1HG1 ILE 5 2HG1 ILE 5 2.893 3.254 3.311 47 2HG1 ILE 5 1HG1 ILE 5 3.347 3.626 1.663 48 1HG2 ILE 5 1HG2 ILE 5 5.876 0.946 2.698 49 2HG2 ILE 5 3HG2 ILE 5 5.156 1.541 1.202 50 3HG2 ILE 5 2HG2 ILE 5 6.685 2.208 1.767 51 1HD1 ILE 5 3HD1 ILE 5 3.651 1.150 1.273 52 2HD1 ILE 5 2HD1 ILE 5 2.963 0.882 2.875 53 3HD1 ILE 5 1HD1 ILE 5 1.992 1.640 1.612 54 H ASN 6 H ASN 6 6.911 1.077 5.285 55 HA ASN 6 HA ASN 6 8.733 3.376 5.839 56 1HB ASN 6 2HB ASN 6 9.160 0.700 7.106 57 2HB ASN 6 1HB ASN 6 9.500 2.307 7.746 58 1HD2 ASN 6 2HD2 ASN 6 6.597 2.057 9.697 59 2HD2 ASN 6 1HD2 ASN 6 8.264 2.363 9.625 60 H GLY 7 H GLY 7 9.928 3.443 3.940 61 1HA GLY 7 2HA GLY 7 10.810 1.043 2.585 62 2HA GLY 7 1HA GLY 7 11.355 2.688 2.231 63 H GLU 8 H GLU 8 11.789 2.519 5.431 64 HA GLU 8 HA GLU 8 14.636 1.860 5.108 65 1HB GLU 8 2HB GLU 8 13.939 3.907 6.356 66 2HB GLU 8 1HB GLU 8 13.166 2.872 7.556 67 1HG GLU 8 2HG GLU 8 15.407 3.508 8.322 68 2HG GLU 8 1HG GLU 8 15.352 1.777 7.993 69 H GLN 9 H GLN 9 11.800 0.293 6.023 70 HA GLN 9 HA GLN 9 13.366 -1.771 7.511 71 1HB GLN 9 2HB GLN 9 11.554 -0.489 8.807 72 2HB GLN 9 1HB GLN 9 10.393 -1.343 7.790 73 1HG GLN 9 2HG GLN 9 12.533 -2.904 9.202 74 2HG GLN 9 1HG GLN 9 11.110 -2.381 10.101 75 1HE2 GLN 9 2HE2 GLN 9 10.745 -5.672 7.973 76 2HE2 GLN 9 1HE2 GLN 9 12.188 -5.061 8.626 77 H ILE 10 H ILE 10 11.276 -1.068 4.883 78 HA ILE 10 HA ILE 10 10.388 -3.783 4.390 79 HB ILE 10 HB ILE 10 10.560 -1.358 2.577 80 1HG1 ILE 10 2HG1 ILE 10 8.962 -1.263 4.512 81 2HG1 ILE 10 1HG1 ILE 10 8.152 -1.226 2.947 82 1HG2 ILE 10 3HG2 ILE 10 9.660 -4.183 2.110 83 2HG2 ILE 10 2HG2 ILE 10 8.807 -2.866 1.302 84 3HG2 ILE 10 1HG2 ILE 10 10.534 -3.095 1.029 85 1HD1 ILE 10 2HD1 ILE 10 8.101 -3.845 3.258 86 2HD1 ILE 10 1HD1 ILE 10 8.282 -3.440 4.964 87 3HD1 ILE 10 3HD1 ILE 10 6.895 -2.837 4.056 88 H ARG 11 H ARG 11 12.049 -5.232 4.214 89 HA ARG 11 HA ARG 11 14.585 -4.683 2.958 90 1HB ARG 11 2HB ARG 11 13.647 -7.492 2.856 91 2HB ARG 11 1HB ARG 11 15.140 -6.829 3.526 92 1HG ARG 11 2HG ARG 11 13.701 -5.910 5.431 93 2HG ARG 11 1HG ARG 11 12.414 -6.950 4.811 94 1HD ARG 11 2HD ARG 11 13.354 -8.478 6.236 95 2HD ARG 11 1HD ARG 11 14.451 -8.733 4.880 96 HE ARG 11 HE ARG 11 16.143 -7.509 6.060 97 1HH1 ARG 11 1HH2 ARG 11 13.063 -7.011 7.475 98 2HH1 ARG 11 2HH2 ARG 11 13.684 -6.694 9.061 99 1HH2 ARG 11 2HH1 ARG 11 16.977 -7.342 8.192 100 2HH2 ARG 11 1HH1 ARG 11 15.900 -6.880 9.467 101 H SER 12 H SER 12 11.607 -6.240 1.861 102 HA SER 12 HA SER 12 12.327 -5.549 -0.930 103 1HB SER 12 2HB SER 12 13.137 -7.932 -0.334 104 2HB SER 12 1HB SER 12 11.428 -8.357 -0.285 105 HG SER 12 HG SER 12 11.251 -7.938 -2.404 106 H ILE 13 H ILE 13 10.393 -5.997 -2.397 107 HA ILE 13 HA ILE 13 8.084 -4.713 -1.531 108 HB ILE 13 HB ILE 13 8.508 -5.291 -3.892 109 1HG1 ILE 13 2HG1 ILE 13 6.195 -5.989 -4.464 110 2HG1 ILE 13 1HG1 ILE 13 5.931 -6.449 -2.782 111 1HG2 ILE 13 1HG2 ILE 13 8.634 -7.956 -2.748 112 2HG2 ILE 13 3HG2 ILE 13 7.494 -7.901 -4.091 113 3HG2 ILE 13 2HG2 ILE 13 9.167 -7.401 -4.334 114 1HD1 ILE 13 1HD1 ILE 13 6.984 -3.812 -2.760 115 2HD1 ILE 13 3HD1 ILE 13 5.707 -3.846 -3.974 116 3HD1 ILE 13 2HD1 ILE 13 5.357 -4.326 -2.315 117 H SER 14 H SER 14 9.094 -7.985 -0.882 118 HA SER 14 HA SER 14 6.621 -9.178 -0.195 119 1HB SER 14 2HB SER 14 9.155 -9.659 1.369 120 2HB SER 14 1HB SER 14 7.880 -10.806 0.969 121 HG SER 14 HG SER 14 8.529 -10.304 -1.302 122 H ASP 15 H ASP 15 8.904 -7.406 1.926 123 HA ASP 15 HA ASP 15 7.212 -7.500 4.229 124 1HB ASP 15 2HB ASP 15 9.703 -6.197 3.410 125 2HB ASP 15 1HB ASP 15 8.742 -5.216 4.509 126 H LEU 16 H LEU 16 7.128 -5.659 1.361 127 HA LEU 16 HA LEU 16 5.750 -3.322 2.356 128 1HB LEU 16 2HB LEU 16 6.918 -3.488 0.131 129 2HB LEU 16 1HB LEU 16 5.608 -4.526 -0.418 130 HG LEU 16 HG LEU 16 4.219 -2.765 -0.755 131 1HD1 LEU 16 1HD1 LEU 16 5.265 -1.602 1.846 132 2HD1 LEU 16 3HD1 LEU 16 4.021 -0.839 0.856 133 3HD1 LEU 16 2HD1 LEU 16 3.718 -2.411 1.594 134 1HD2 LEU 16 2HD2 LEU 16 6.646 -2.028 -1.443 135 2HD2 LEU 16 1HD2 LEU 16 5.324 -0.860 -1.484 136 3HD2 LEU 16 3HD2 LEU 16 6.448 -0.874 -0.123 137 H HIS 17 H HIS 17 4.556 -6.105 0.458 138 HA HIS 17 HA HIS 17 1.808 -5.580 0.782 139 1HB HIS 17 2HB HIS 17 3.259 -8.221 0.510 140 2HB HIS 17 1HB HIS 17 1.509 -8.030 0.344 141 HD1 HIS 17 HD1 HIS 17 0.680 -6.491 -1.665 142 HD2 HIS 17 HD2 HIS 17 4.738 -7.439 -1.736 143 HE1 HIS 17 HE1 HIS 17 1.510 -5.907 -3.986 144 H GLN 18 H GLN 18 4.110 -6.828 3.016 145 HA GLN 18 HA GLN 18 2.110 -7.927 4.846 146 1HB GLN 18 2HB GLN 18 5.056 -7.334 5.240 147 2HB GLN 18 1HB GLN 18 4.037 -8.200 6.392 148 1HG GLN 18 2HG GLN 18 3.486 -9.687 4.258 149 2HG GLN 18 1HG GLN 18 5.057 -9.088 3.723 150 1HE2 GLN 18 2HE2 GLN 18 6.722 -11.463 5.702 151 2HE2 GLN 18 1HE2 GLN 18 6.661 -10.568 4.261 152 H THR 19 H THR 19 3.927 -4.993 4.441 153 HA THR 19 HA THR 19 3.211 -3.802 6.965 154 HB THR 19 HB THR 19 4.278 -2.722 4.360 155 HG1 THR 19 HG1 THR 19 5.221 -3.221 6.955 156 1HG2 THR 19 1HG2 THR 19 2.943 -1.251 6.521 157 2HG2 THR 19 3HG2 THR 19 4.569 -0.664 6.170 158 3HG2 THR 19 2HG2 THR 19 3.358 -0.724 4.889 159 H LEU 20 H LEU 20 1.766 -3.872 3.801 160 HA LEU 20 HA LEU 20 -0.349 -1.956 4.523 161 1HB LEU 20 2HB LEU 20 -0.584 -3.847 2.198 162 2HB LEU 20 1HB LEU 20 -1.125 -2.172 2.326 163 HG LEU 20 HG LEU 20 1.781 -2.983 2.295 164 1HD1 LEU 20 2HD1 LEU 20 -0.128 -2.827 0.127 165 2HD1 LEU 20 1HD1 LEU 20 1.147 -1.624 -0.075 166 3HD1 LEU 20 3HD1 LEU 20 1.562 -3.331 0.086 167 1HD2 LEU 20 3HD2 LEU 20 0.998 -0.759 3.316 168 2HD2 LEU 20 2HD2 LEU 20 2.220 -0.656 2.048 169 3HD2 LEU 20 1HD2 LEU 20 0.531 -0.305 1.677 170 H LYS 21 H LYS 21 0.170 -5.398 4.216 171 HA LYS 21 HA LYS 21 -2.543 -6.211 4.777 172 1HB LYS 21 2HB LYS 21 -1.048 -7.838 3.820 173 2HB LYS 21 1HB LYS 21 0.125 -7.607 5.120 174 1HG LYS 21 2HG LYS 21 -1.027 -8.937 6.568 175 2HG LYS 21 1HG LYS 21 -2.595 -8.352 6.008 176 1HD LYS 21 2HD LYS 21 -2.828 -10.069 4.554 177 2HD LYS 21 1HD LYS 21 -1.175 -9.894 3.965 178 1HE LYS 21 2HE LYS 21 -1.098 -10.887 6.658 179 2HE LYS 21 1HE LYS 21 -2.191 -11.894 5.710 180 1HZ LYS 21 2HZ LYS 21 -0.035 -11.407 4.075 181 2HZ LYS 21 1HZ LYS 21 0.642 -11.726 5.600 182 3HZ LYS 21 3HZ LYS 21 -0.393 -12.860 4.880 183 H LYS 22 H LYS 22 0.088 -5.023 6.695 184 HA LYS 22 HA LYS 22 -1.043 -5.998 9.231 185 1HB LYS 22 2HB LYS 22 1.302 -5.893 9.313 186 2HB LYS 22 1HB LYS 22 1.359 -4.363 8.441 187 1HG LYS 22 2HG LYS 22 0.481 -3.168 10.360 188 2HG LYS 22 1HG LYS 22 0.223 -4.679 11.233 189 1HD LYS 22 2HD LYS 22 2.534 -5.056 11.514 190 2HD LYS 22 1HD LYS 22 2.963 -3.924 10.230 191 1HE LYS 22 2HE LYS 22 3.416 -2.947 12.452 192 2HE LYS 22 1HE LYS 22 2.156 -2.045 11.611 193 1HZ LYS 22 1HZ LYS 22 0.863 -4.059 12.981 194 2HZ LYS 22 3HZ LYS 22 2.009 -3.446 14.070 195 3HZ LYS 22 2HZ LYS 22 0.871 -2.403 13.360 196 H GLU 23 H GLU 23 -0.668 -2.855 7.553 197 HA GLU 23 HA GLU 23 -2.077 -1.397 9.630 198 1HB GLU 23 2HB GLU 23 -1.813 -0.474 6.778 199 2HB GLU 23 1HB GLU 23 -1.879 0.505 8.241 200 1HG GLU 23 2HG GLU 23 0.344 0.255 8.662 201 2HG GLU 23 1HG GLU 23 0.359 -1.428 8.137 202 H LEU 24 H LEU 24 -2.943 -2.140 6.304 203 HA LEU 24 HA LEU 24 -5.694 -1.447 6.530 204 1HB LEU 24 2HB LEU 24 -4.596 -3.576 4.680 205 2HB LEU 24 1HB LEU 24 -5.980 -2.519 4.411 206 HG LEU 24 HG LEU 24 -3.242 -1.338 4.821 207 1HD1 LEU 24 3HD1 LEU 24 -4.353 -2.640 2.350 208 2HD1 LEU 24 2HD1 LEU 24 -3.211 -1.300 2.232 209 3HD1 LEU 24 1HD1 LEU 24 -2.741 -2.790 3.051 210 1HD2 LEU 24 1HD2 LEU 24 -5.800 -0.304 4.455 211 2HD2 LEU 24 3HD2 LEU 24 -4.286 0.578 4.276 212 3HD2 LEU 24 2HD2 LEU 24 -5.049 -0.156 2.866 213 H ALA 25 H ALA 25 -3.881 -4.288 7.415 214 HA ALA 25 HA ALA 25 -4.552 -6.117 8.734 215 1HB ALA 25 3HB ALA 25 -6.363 -4.115 9.376 216 2HB ALA 25 2HB ALA 25 -7.398 -5.457 8.882 217 3HB ALA 25 1HB ALA 25 -6.230 -5.676 10.186 218 H LEU 26 H LEU 26 -4.369 -6.527 6.066 219 HA LEU 26 HA LEU 26 -6.838 -7.542 4.910 220 1HB LEU 26 2HB LEU 26 -4.027 -8.238 4.016 221 2HB LEU 26 1HB LEU 26 -5.497 -8.178 3.041 222 HG LEU 26 HG LEU 26 -4.319 -5.751 4.415 223 1HD1 LEU 26 2HD1 LEU 26 -3.057 -7.006 2.402 224 2HD1 LEU 26 1HD1 LEU 26 -4.226 -6.083 1.458 225 3HD1 LEU 26 3HD1 LEU 26 -3.104 -5.247 2.533 226 1HD2 LEU 26 1HD2 LEU 26 -6.842 -6.285 3.257 227 2HD2 LEU 26 3HD2 LEU 26 -6.199 -4.711 3.731 228 3HD2 LEU 26 2HD2 LEU 26 -5.969 -5.298 2.083 229 HA PRO 27 HA PRO 27 -6.753 -11.609 6.513 230 1HB PRO 27 2HB PRO 27 -7.646 -13.075 4.368 231 2HB PRO 27 1HB PRO 27 -8.688 -12.010 5.333 232 1HG PRO 27 2HG PRO 27 -7.591 -11.585 2.598 233 2HG PRO 27 1HG PRO 27 -9.052 -10.908 3.336 234 1HD PRO 27 2HD PRO 27 -6.571 -9.583 2.989 235 2HD PRO 27 1HD PRO 27 -7.934 -9.011 3.974 236 H GLU 28 H GLU 28 -6.203 -14.049 5.467 237 HA GLU 28 HA GLU 28 -3.302 -13.970 5.140 238 1HB GLU 28 2HB GLU 28 -4.294 -15.719 6.508 239 2HB GLU 28 1HB GLU 28 -5.290 -16.258 5.154 240 1HG GLU 28 2HG GLU 28 -3.612 -17.688 4.663 241 2HG GLU 28 1HG GLU 28 -2.712 -16.276 4.112 242 H TYR 29 H TYR 29 -6.042 -15.115 3.148 243 HA TYR 29 HA TYR 29 -4.450 -15.909 0.922 244 1HB TYR 29 2HB TYR 29 -6.558 -15.810 -0.365 245 2HB TYR 29 1HB TYR 29 -6.784 -16.619 1.190 246 HD1 TYR 29 HD1 TYR 29 -6.944 -13.184 -0.331 247 HD2 TYR 29 HD2 TYR 29 -8.517 -15.927 2.579 248 HE1 TYR 29 HE1 TYR 29 -8.703 -11.543 0.265 249 HE2 TYR 29 HE2 TYR 29 -10.274 -14.280 3.179 250 HH TYR 29 HH TYR 29 -11.372 -12.376 2.336 251 H TYR 30 H TYR 30 -5.105 -12.809 2.106 252 HA TYR 30 HA TYR 30 -5.454 -11.084 0.014 253 1HB TYR 30 2HB TYR 30 -4.999 -10.102 2.129 254 2HB TYR 30 1HB TYR 30 -3.452 -10.937 2.274 255 HD1 TYR 30 HD1 TYR 30 -5.113 -8.778 -0.320 256 HD2 TYR 30 HD2 TYR 30 -1.611 -9.535 2.050 257 HE1 TYR 30 HE1 TYR 30 -3.971 -6.856 -1.393 258 HE2 TYR 30 HE2 TYR 30 -0.468 -7.615 0.973 259 HH TYR 30 HH TYR 30 -1.376 -6.257 -1.804 260 H GLY 31 H GLY 31 -4.386 -10.525 -1.848 261 1HA GLY 31 2HA GLY 31 -2.059 -12.175 -2.598 262 2HA GLY 31 1HA GLY 31 -2.956 -11.097 -3.674 263 H GLU 32 H GLU 32 -0.912 -10.204 -4.385 264 HA GLU 32 HA GLU 32 0.007 -8.039 -2.589 265 1HB GLU 32 2HB GLU 32 2.409 -8.638 -3.157 266 2HB GLU 32 1HB GLU 32 1.601 -9.759 -2.060 267 1HG GLU 32 2HG GLU 32 1.032 -11.192 -4.039 268 2HG GLU 32 1HG GLU 32 2.010 -10.118 -5.042 269 H ASN 33 H ASN 33 -1.597 -7.731 -4.791 270 HA ASN 33 HA ASN 33 0.201 -6.235 -6.595 271 1HB ASN 33 2HB ASN 33 -1.408 -7.290 -8.492 272 2HB ASN 33 1HB ASN 33 0.140 -8.007 -8.055 273 1HD2 ASN 33 2HD2 ASN 33 -1.788 -10.974 -7.608 274 2HD2 ASN 33 1HD2 ASN 33 -0.709 -10.167 -8.640 275 H LEU 34 H LEU 34 -1.686 -5.466 -8.487 276 HA LEU 34 HA LEU 34 -3.281 -3.610 -6.903 277 1HB LEU 34 2HB LEU 34 -3.694 -3.936 -9.849 278 2HB LEU 34 1HB LEU 34 -3.636 -2.462 -8.883 279 HG LEU 34 HG LEU 34 -1.316 -4.185 -9.776 280 1HD1 LEU 34 3HD1 LEU 34 -2.195 -2.405 -11.304 281 2HD1 LEU 34 2HD1 LEU 34 -1.869 -1.215 -10.045 282 3HD1 LEU 34 1HD1 LEU 34 -0.537 -2.109 -10.779 283 1HD2 LEU 34 1HD2 LEU 34 -1.624 -2.690 -7.325 284 2HD2 LEU 34 3HD2 LEU 34 -0.237 -3.626 -7.880 285 3HD2 LEU 34 2HD2 LEU 34 -0.395 -1.930 -8.336 286 H ASP 35 H ASP 35 -3.809 -6.787 -7.901 287 HA ASP 35 HA ASP 35 -6.667 -6.466 -8.448 288 1HB ASP 35 2HB ASP 35 -6.337 -9.122 -7.926 289 2HB ASP 35 1HB ASP 35 -6.210 -8.395 -9.522 290 H ALA 36 H ALA 36 -4.908 -8.339 -5.948 291 HA ALA 36 HA ALA 36 -7.249 -8.564 -4.293 292 1HB ALA 36 2HB ALA 36 -5.302 -10.151 -4.241 293 2HB ALA 36 1HB ALA 36 -4.365 -8.889 -3.441 294 3HB ALA 36 3HB ALA 36 -5.786 -9.571 -2.646 295 H LEU 37 H LEU 37 -4.457 -6.443 -4.229 296 HA LEU 37 HA LEU 37 -5.098 -5.117 -1.773 297 1HB LEU 37 2HB LEU 37 -2.901 -4.913 -2.869 298 2HB LEU 37 1HB LEU 37 -3.658 -4.023 -4.191 299 HG LEU 37 HG LEU 37 -4.521 -2.790 -1.793 300 1HD1 LEU 37 2HD1 LEU 37 -2.323 -4.087 -1.042 301 2HD1 LEU 37 1HD1 LEU 37 -1.531 -2.723 -1.830 302 3HD1 LEU 37 3HD1 LEU 37 -2.640 -2.443 -0.489 303 1HD2 LEU 37 3HD2 LEU 37 -3.764 -2.033 -4.266 304 2HD2 LEU 37 2HD2 LEU 37 -3.841 -0.903 -2.915 305 3HD2 LEU 37 1HD2 LEU 37 -2.297 -1.611 -3.381 306 H TRP 38 H TRP 38 -5.713 -4.130 -5.158 307 HA TRP 38 HA TRP 38 -7.291 -1.850 -4.528 308 1HB TRP 38 2HB TRP 38 -6.507 -2.281 -6.813 309 2HB TRP 38 1HB TRP 38 -7.412 -3.781 -6.846 310 HD1 TRP 38 HD1 TRP 38 -9.479 -3.675 -8.091 311 HE1 TRP 38 HE1 TRP 38 -11.250 -1.909 -8.722 312 HE3 TRP 38 HE3 TRP 38 -7.557 0.395 -5.689 313 HZ2 TRP 38 HZ2 TRP 38 -11.760 0.864 -8.280 314 HZ3 TRP 38 HZ3 TRP 38 -8.686 2.586 -5.829 315 HH2 TRP 38 HH2 TRP 38 -10.789 2.828 -7.116 316 H ASP 39 H ASP 39 -8.056 -5.237 -4.920 317 HA ASP 39 HA ASP 39 -10.884 -5.031 -4.587 318 1HB ASP 39 2HB ASP 39 -8.872 -7.154 -4.536 319 2HB ASP 39 1HB ASP 39 -10.206 -7.447 -3.415 320 H ALA 40 H ALA 40 -8.236 -4.967 -2.335 321 HA ALA 40 HA ALA 40 -9.978 -5.280 0.012 322 1HB ALA 40 1HB ALA 40 -7.410 -5.869 -0.241 323 2HB ALA 40 3HB ALA 40 -7.200 -4.179 0.221 324 3HB ALA 40 2HB ALA 40 -8.053 -5.290 1.297 325 H LEU 41 H LEU 41 -7.708 -2.647 -0.825 326 HA LEU 41 HA LEU 41 -8.660 -0.611 0.734 327 1HB LEU 41 2HB LEU 41 -7.641 -0.608 -2.081 328 2HB LEU 41 1HB LEU 41 -8.292 0.890 -1.417 329 HG LEU 41 HG LEU 41 -6.380 -0.587 0.314 330 1HD1 LEU 41 3HD1 LEU 41 -5.454 -0.705 -2.066 331 2HD1 LEU 41 2HD1 LEU 41 -5.379 1.058 -2.032 332 3HD1 LEU 41 1HD1 LEU 41 -4.422 0.110 -0.889 333 1HD2 LEU 41 3HD2 LEU 41 -7.456 1.631 0.857 334 2HD2 LEU 41 2HD2 LEU 41 -5.691 1.651 0.903 335 3HD2 LEU 41 1HD2 LEU 41 -6.548 2.331 -0.484 336 H THR 42 H THR 42 -9.922 -1.351 -2.465 337 HA THR 42 HA THR 42 -12.310 0.299 -1.994 338 HB THR 42 HB THR 42 -12.735 0.077 -4.262 339 HG1 THR 42 HG1 THR 42 -11.979 -1.824 -5.407 340 1HG2 THR 42 1HG2 THR 42 -10.380 0.908 -3.857 341 2HG2 THR 42 3HG2 THR 42 -9.815 -0.725 -4.208 342 3HG2 THR 42 2HG2 THR 42 -10.649 0.205 -5.451 343 H GLY 43 H GLY 43 -12.279 -1.677 -0.061 344 1HA GLY 43 2HA GLY 43 -14.714 -2.773 0.123 345 2HA GLY 43 1HA GLY 43 -13.997 -3.877 -1.053 346 H TRP 44 H TRP 44 -12.256 -2.391 1.684 347 HA TRP 44 HA TRP 44 -12.511 -4.692 3.409 348 1HB TRP 44 2HB TRP 44 -11.098 -5.795 1.752 349 2HB TRP 44 1HB TRP 44 -9.952 -4.452 1.801 350 HD1 TRP 44 HD1 TRP 44 -8.848 -3.971 4.313 351 HE1 TRP 44 HE1 TRP 44 -8.082 -5.685 6.079 352 HE3 TRP 44 HE3 TRP 44 -11.395 -8.088 2.703 353 HZ2 TRP 44 HZ2 TRP 44 -8.501 -8.445 6.725 354 HZ3 TRP 44 HZ3 TRP 44 -11.198 -10.244 3.909 355 HH2 TRP 44 HH2 TRP 44 -9.755 -10.427 5.916 356 H VAL 45 H VAL 45 -10.523 -2.006 2.347 357 HA VAL 45 HA VAL 45 -9.347 -1.511 4.949 358 HB VAL 45 HB VAL 45 -9.445 -0.141 2.286 359 1HG1 VAL 45 3HG1 VAL 45 -8.376 1.106 4.823 360 2HG1 VAL 45 2HG1 VAL 45 -8.151 1.739 3.195 361 3HG1 VAL 45 1HG1 VAL 45 -9.767 1.668 3.897 362 1HG2 VAL 45 1HG2 VAL 45 -7.348 -1.286 4.121 363 2HG2 VAL 45 3HG2 VAL 45 -7.721 -1.746 2.460 364 3HG2 VAL 45 2HG2 VAL 45 -6.908 -0.216 2.790 365 H GLU 46 H GLU 46 -9.703 0.655 6.042 366 HA GLU 46 HA GLU 46 -12.600 1.395 5.956 367 1HB GLU 46 2HB GLU 46 -10.649 1.122 8.232 368 2HB GLU 46 1HB GLU 46 -12.009 2.235 8.376 369 1HG GLU 46 2HG GLU 46 -13.424 0.191 7.539 370 2HG GLU 46 1HG GLU 46 -12.040 -0.755 8.085 371 H TYR 47 H TYR 47 -12.922 3.409 5.183 372 HA TYR 47 HA TYR 47 -10.619 5.284 5.163 373 1HB TYR 47 2HB TYR 47 -13.225 5.321 3.616 374 2HB TYR 47 1HB TYR 47 -11.891 6.457 3.397 375 HD1 TYR 47 HD2 TYR 47 -9.504 4.797 3.596 376 HD2 TYR 47 HD1 TYR 47 -13.276 3.930 1.721 377 HE1 TYR 47 HE2 TYR 47 -8.383 3.184 2.077 378 HE2 TYR 47 HE1 TYR 47 -12.145 2.321 0.205 379 HH TYR 47 HH TYR 47 -9.917 1.888 -0.679 380 HA PRO 48 HA PRO 48 -10.859 7.601 4.341 381 1HB PRO 48 2HB PRO 48 -9.593 9.613 5.725 382 2HB PRO 48 1HB PRO 48 -11.120 9.821 4.847 383 1HG PRO 48 2HG PRO 48 -10.658 9.571 7.792 384 2HG PRO 48 1HG PRO 48 -11.934 10.444 6.926 385 1HD PRO 48 2HD PRO 48 -12.261 7.956 8.171 386 2HD PRO 48 1HD PRO 48 -13.334 8.617 6.915 387 H LEU 49 H LEU 49 -8.699 7.076 3.959 388 HA LEU 49 HA LEU 49 -7.182 5.988 6.299 389 1HB LEU 49 2HB LEU 49 -7.823 4.080 5.088 390 2HB LEU 49 1HB LEU 49 -7.646 4.893 3.541 391 HG LEU 49 HG LEU 49 -5.082 5.030 4.429 392 1HD1 LEU 49 2HD1 LEU 49 -6.392 2.640 5.715 393 2HD1 LEU 49 1HD1 LEU 49 -4.681 2.622 5.284 394 3HD1 LEU 49 3HD1 LEU 49 -5.287 3.809 6.440 395 1HD2 LEU 49 1HD2 LEU 49 -6.638 3.396 2.612 396 2HD2 LEU 49 3HD2 LEU 49 -5.010 4.046 2.407 397 3HD2 LEU 49 2HD2 LEU 49 -5.257 2.508 3.241 398 H VAL 50 H VAL 50 -5.144 6.806 6.540 399 HA VAL 50 HA VAL 50 -4.170 8.686 4.449 400 HB VAL 50 HB VAL 50 -3.899 8.446 7.373 401 1HG1 VAL 50 1HG1 VAL 50 -1.480 8.986 5.650 402 2HG1 VAL 50 3HG1 VAL 50 -1.644 9.724 7.243 403 3HG1 VAL 50 2HG1 VAL 50 -1.602 7.968 7.086 404 1HG2 VAL 50 2HG2 VAL 50 -4.877 10.290 5.730 405 2HG2 VAL 50 1HG2 VAL 50 -4.130 10.743 7.264 406 3HG2 VAL 50 3HG2 VAL 50 -3.210 10.867 5.764 407 H LEU 51 H LEU 51 -2.977 7.624 2.886 408 HA LEU 51 HA LEU 51 -1.318 5.300 3.637 409 1HB LEU 51 2HB LEU 51 -2.524 5.367 1.449 410 2HB LEU 51 1HB LEU 51 -1.520 6.746 0.979 411 HG LEU 51 HG LEU 51 0.493 5.199 1.513 412 1HD1 LEU 51 2HD1 LEU 51 -1.642 3.460 2.157 413 2HD1 LEU 51 1HD1 LEU 51 -0.908 2.831 0.671 414 3HD1 LEU 51 3HD1 LEU 51 0.079 3.078 2.119 415 1HD2 LEU 51 2HD2 LEU 51 -1.384 4.925 -0.815 416 2HD2 LEU 51 1HD2 LEU 51 0.165 5.778 -0.741 417 3HD2 LEU 51 3HD2 LEU 51 0.123 4.012 -0.756 418 H GLU 52 H GLU 52 -0.093 6.834 5.178 419 HA GLU 52 HA GLU 52 1.644 8.852 4.091 420 1HB GLU 52 2HB GLU 52 1.208 8.861 6.460 421 2HB GLU 52 1HB GLU 52 1.791 7.205 6.628 422 1HG GLU 52 2HG GLU 52 3.904 7.932 6.893 423 2HG GLU 52 1HG GLU 52 3.823 8.815 5.368 424 H TRP 53 H TRP 53 2.577 7.780 2.191 425 HA TRP 53 HA TRP 53 4.218 5.402 2.590 426 1HB TRP 53 2HB TRP 53 3.000 6.271 0.406 427 2HB TRP 53 1HB TRP 53 4.522 7.139 0.170 428 HD1 TRP 53 HD1 TRP 53 6.774 5.400 0.693 429 HE1 TRP 53 HE1 TRP 53 7.123 3.046 -0.291 430 HE3 TRP 53 HE3 TRP 53 1.972 4.264 -0.609 431 HZ2 TRP 53 HZ2 TRP 53 5.574 0.968 -1.464 432 HZ3 TRP 53 HZ3 TRP 53 1.434 2.088 -1.658 433 HH2 TRP 53 HH2 TRP 53 3.233 0.431 -2.087 434 H ARG 54 H ARG 54 6.064 5.661 3.778 435 HA ARG 54 HA ARG 54 7.576 8.196 3.588 436 1HB ARG 54 2HB ARG 54 8.517 5.880 5.235 437 2HB ARG 54 1HB ARG 54 8.584 7.607 5.589 438 1HG ARG 54 2HG ARG 54 5.859 7.096 5.418 439 2HG ARG 54 1HG ARG 54 6.494 5.662 6.226 440 1HD ARG 54 2HD ARG 54 7.206 8.478 7.075 441 2HD ARG 54 1HD ARG 54 5.860 7.576 7.771 442 HE ARG 54 HE ARG 54 8.307 6.038 7.869 443 1HH1 ARG 54 1HH2 ARG 54 8.694 8.934 9.001 444 2HH1 ARG 54 2HH2 ARG 54 8.473 8.616 10.690 445 1HH2 ARG 54 2HH1 ARG 54 7.092 5.475 10.188 446 2HH2 ARG 54 1HH1 ARG 54 7.566 6.657 11.361 447 H GLN 55 H GLN 55 9.672 8.325 2.756 448 HA GLN 55 HA GLN 55 11.312 7.767 1.153 449 1HB GLN 55 2HB GLN 55 11.301 5.222 2.805 450 2HB GLN 55 1HB GLN 55 12.631 5.813 1.806 451 1HG GLN 55 2HG GLN 55 13.354 7.138 3.475 452 2HG GLN 55 1HG GLN 55 11.768 7.899 3.600 453 1HE2 GLN 55 2HE2 GLN 55 12.236 6.315 6.880 454 2HE2 GLN 55 1HE2 GLN 55 12.816 7.663 6.028 455 H PHE 56 H PHE 56 9.399 7.595 -0.439 456 HA PHE 56 HA PHE 56 8.412 4.994 -1.188 457 1HB PHE 56 2HB PHE 56 7.291 7.137 -1.802 458 2HB PHE 56 1HB PHE 56 8.631 7.497 -2.890 459 HD1 PHE 56 HD1 PHE 56 5.973 4.970 -2.180 460 HD2 PHE 56 HD2 PHE 56 8.689 6.602 -5.079 461 HE1 PHE 56 HE1 PHE 56 4.897 3.614 -3.949 462 HE2 PHE 56 HE2 PHE 56 7.618 5.243 -6.847 463 HZ PHE 56 HZ PHE 56 5.722 3.744 -6.286 464 H GLU 57 H GLU 57 11.400 6.606 -1.705 465 HA GLU 57 HA GLU 57 12.174 5.445 -4.206 466 1HB GLU 57 2HB GLU 57 13.419 6.978 -2.086 467 2HB GLU 57 1HB GLU 57 14.494 5.688 -2.624 468 1HG GLU 57 2HG GLU 57 13.770 6.491 -5.028 469 2HG GLU 57 1HG GLU 57 13.368 7.989 -4.187 470 H GLN 58 H GLN 58 13.901 4.539 -1.251 471 HA GLN 58 HA GLN 58 14.602 1.962 -2.058 472 1HB GLN 58 2HB GLN 58 14.401 1.476 0.541 473 2HB GLN 58 1HB GLN 58 15.647 2.559 -0.078 474 1HG GLN 58 2HG GLN 58 13.100 3.923 0.400 475 2HG GLN 58 1HG GLN 58 13.775 3.205 1.864 476 1HE2 GLN 58 2HE2 GLN 58 15.924 5.972 2.186 477 2HE2 GLN 58 1HE2 GLN 58 14.804 4.928 2.919 478 H SER 59 H SER 59 13.709 -0.150 -1.394 479 HA SER 59 HA SER 59 11.944 -1.652 -0.901 480 1HB SER 59 2HB SER 59 11.090 0.296 0.590 481 2HB SER 59 1HB SER 59 10.022 0.664 -0.765 482 HG SER 59 HG SER 59 8.839 -0.957 -0.170 483 H LYS 60 H LYS 60 11.172 1.128 -2.983 484 HA LYS 60 HA LYS 60 9.437 -0.480 -4.703 485 1HB LYS 60 2HB LYS 60 9.008 1.916 -4.316 486 2HB LYS 60 1HB LYS 60 10.555 2.306 -5.077 487 1HG LYS 60 2HG LYS 60 9.192 0.587 -6.870 488 2HG LYS 60 1HG LYS 60 8.014 1.786 -6.336 489 1HD LYS 60 2HD LYS 60 9.016 2.901 -8.120 490 2HD LYS 60 1HD LYS 60 9.985 3.482 -6.766 491 1HE LYS 60 2HE LYS 60 11.620 1.634 -7.220 492 2HE LYS 60 1HE LYS 60 10.690 1.224 -8.662 493 1HZ LYS 60 3HZ LYS 60 10.994 3.671 -9.263 494 2HZ LYS 60 2HZ LYS 60 12.227 3.681 -8.093 495 3HZ LYS 60 1HZ LYS 60 12.335 2.645 -9.436 496 H GLN 61 H GLN 61 12.825 0.450 -4.687 497 HA GLN 61 HA GLN 61 13.199 -0.128 -7.528 498 1HB GLN 61 2HB GLN 61 14.606 1.428 -5.945 499 2HB GLN 61 1HB GLN 61 15.458 -0.067 -5.563 500 1HG GLN 61 2HG GLN 61 15.147 -0.016 -8.380 501 2HG GLN 61 1HG GLN 61 15.707 1.588 -7.904 502 1HE2 GLN 61 2HE2 GLN 61 18.828 0.349 -6.570 503 2HE2 GLN 61 1HE2 GLN 61 17.662 1.559 -6.330 504 H LEU 62 H LEU 62 14.730 -1.568 -4.733 505 HA LEU 62 HA LEU 62 15.774 -3.874 -5.700 506 1HB LEU 62 2HB LEU 62 14.321 -4.733 -3.391 507 2HB LEU 62 1HB LEU 62 16.035 -4.348 -3.520 508 HG LEU 62 HG LEU 62 15.493 -1.944 -3.148 509 1HD1 LEU 62 1HD1 LEU 62 12.967 -2.574 -3.906 510 2HD1 LEU 62 3HD1 LEU 62 12.781 -2.638 -2.162 511 3HD1 LEU 62 2HD1 LEU 62 13.345 -1.157 -2.935 512 1HD2 LEU 62 1HD2 LEU 62 14.687 -4.029 -1.133 513 2HD2 LEU 62 3HD2 LEU 62 16.146 -3.037 -1.176 514 3HD2 LEU 62 2HD2 LEU 62 14.598 -2.312 -0.739 515 H THR 63 H THR 63 12.365 -3.241 -5.444 516 HA THR 63 HA THR 63 11.681 -6.014 -6.187 517 HB THR 63 HB THR 63 10.349 -4.704 -4.494 518 HG1 THR 63 HG1 THR 63 8.288 -5.136 -5.759 519 1HG2 THR 63 3HG2 THR 63 10.279 -2.848 -6.729 520 2HG2 THR 63 2HG2 THR 63 8.659 -3.217 -6.139 521 3HG2 THR 63 1HG2 THR 63 9.875 -2.574 -5.034 522 H GLU 64 H GLU 64 9.286 -4.597 -7.686 523 HA GLU 64 HA GLU 64 10.563 -3.496 -10.051 524 1HB GLU 64 2HB GLU 64 9.760 -5.301 -11.569 525 2HB GLU 64 1HB GLU 64 10.977 -5.893 -10.437 526 1HG GLU 64 2HG GLU 64 9.500 -7.482 -9.824 527 2HG GLU 64 1HG GLU 64 8.544 -6.199 -9.083 528 H ASN 65 H ASN 65 9.036 -1.844 -9.338 529 HA ASN 65 HA ASN 65 7.017 -0.685 -9.619 530 1HB ASN 65 2HB ASN 65 6.837 -1.563 -11.855 531 2HB ASN 65 1HB ASN 65 6.370 -3.149 -11.256 532 1HD2 ASN 65 2HD2 ASN 65 2.975 -2.260 -10.720 533 2HD2 ASN 65 1HD2 ASN 65 4.176 -3.424 -10.437 534 H GLY 66 H GLY 66 7.533 -3.252 -7.746 535 1HA GLY 66 2HA GLY 66 4.956 -4.198 -6.998 536 2HA GLY 66 1HA GLY 66 6.378 -4.207 -5.951 537 H ALA 67 H ALA 67 6.956 -1.753 -5.296 538 HA ALA 67 HA ALA 67 4.844 -0.886 -3.571 539 1HB ALA 67 3HB ALA 67 7.329 0.572 -4.522 540 2HB ALA 67 2HB ALA 67 6.289 1.119 -3.207 541 3HB ALA 67 1HB ALA 67 7.178 -0.396 -3.056 542 H GLU 68 H GLU 68 6.042 0.524 -6.651 543 HA GLU 68 HA GLU 68 4.200 2.675 -6.662 544 1HB GLU 68 2HB GLU 68 4.824 3.041 -8.911 545 2HB GLU 68 1HB GLU 68 6.251 2.311 -8.177 546 1HG GLU 68 2HG GLU 68 5.398 0.068 -8.995 547 2HG GLU 68 1HG GLU 68 4.180 0.953 -9.917 548 H SER 69 H SER 69 3.642 -0.661 -7.001 549 HA SER 69 HA SER 69 1.245 -0.340 -8.680 550 1HB SER 69 2HB SER 69 2.941 -2.509 -8.010 551 2HB SER 69 1HB SER 69 1.368 -2.889 -7.328 552 HG SER 69 HG SER 69 1.461 -3.575 -9.473 553 H VAL 70 H VAL 70 1.833 -1.516 -5.313 554 HA VAL 70 HA VAL 70 -0.846 -1.576 -4.498 555 HB VAL 70 HB VAL 70 1.599 -0.650 -2.944 556 1HG1 VAL 70 3HG1 VAL 70 -1.247 -0.475 -2.313 557 2HG1 VAL 70 2HG1 VAL 70 -0.381 -1.439 -1.127 558 3HG1 VAL 70 1HG1 VAL 70 0.123 0.223 -1.444 559 1HG2 VAL 70 1HG2 VAL 70 1.528 -3.055 -3.631 560 2HG2 VAL 70 3HG2 VAL 70 1.432 -2.861 -1.881 561 3HG2 VAL 70 2HG2 VAL 70 -0.023 -3.221 -2.809 562 H LEU 71 H LEU 71 1.458 0.988 -4.878 563 HA LEU 71 HA LEU 71 -0.181 3.035 -3.808 564 1HB LEU 71 2HB LEU 71 2.352 3.076 -4.222 565 2HB LEU 71 1HB LEU 71 1.950 3.447 -5.899 566 HG LEU 71 HG LEU 71 0.951 5.503 -5.331 567 1HD1 LEU 71 3HD1 LEU 71 0.659 4.228 -2.641 568 2HD1 LEU 71 2HD1 LEU 71 0.768 5.991 -2.715 569 3HD1 LEU 71 1HD1 LEU 71 -0.526 5.149 -3.579 570 1HD2 LEU 71 2HD2 LEU 71 3.499 4.830 -4.108 571 2HD2 LEU 71 1HD2 LEU 71 3.046 6.269 -5.017 572 3HD2 LEU 71 3HD2 LEU 71 2.711 6.173 -3.288 573 H GLN 72 H GLN 72 0.369 1.921 -7.169 574 HA GLN 72 HA GLN 72 -1.224 3.848 -8.455 575 1HB GLN 72 2HB GLN 72 -0.613 0.971 -8.988 576 2HB GLN 72 1HB GLN 72 -1.921 1.717 -9.908 577 1HG GLN 72 2HG GLN 72 -0.025 3.653 -10.110 578 2HG GLN 72 1HG GLN 72 0.997 2.217 -10.030 579 1HE2 GLN 72 2HE2 GLN 72 -0.066 0.955 -13.194 580 2HE2 GLN 72 1HE2 GLN 72 0.684 0.552 -11.725 581 H VAL 73 H VAL 73 -2.114 1.120 -6.499 582 HA VAL 73 HA VAL 73 -4.979 1.363 -7.058 583 HB VAL 73 HB VAL 73 -3.417 -0.272 -5.054 584 1HG1 VAL 73 3HG1 VAL 73 -5.973 0.468 -4.608 585 2HG1 VAL 73 2HG1 VAL 73 -6.252 -0.877 -5.705 586 3HG1 VAL 73 1HG1 VAL 73 -5.375 -1.137 -4.205 587 1HG2 VAL 73 3HG2 VAL 73 -4.305 -0.539 -7.831 588 2HG2 VAL 73 2HG2 VAL 73 -3.091 -1.472 -6.949 589 3HG2 VAL 73 1HG2 VAL 73 -4.800 -1.902 -6.826 590 H PHE 74 H PHE 74 -2.896 2.169 -4.254 591 HA PHE 74 HA PHE 74 -4.874 3.017 -2.500 592 1HB PHE 74 2HB PHE 74 -1.992 3.559 -2.935 593 2HB PHE 74 1HB PHE 74 -2.863 4.764 -1.996 594 HD1 PHE 74 HD2 PHE 74 -3.897 4.195 0.151 595 HD2 PHE 74 HD1 PHE 74 -1.755 1.267 -2.134 596 HE1 PHE 74 HE2 PHE 74 -3.829 2.682 2.106 597 HE2 PHE 74 HE1 PHE 74 -1.723 -0.243 -0.167 598 HZ PHE 74 HZ PHE 74 -2.767 0.482 1.941 599 H ARG 75 H ARG 75 -3.007 4.889 -4.859 600 HA ARG 75 HA ARG 75 -4.514 7.299 -4.615 601 1HB ARG 75 2HB ARG 75 -2.688 6.147 -6.709 602 2HB ARG 75 1HB ARG 75 -3.620 7.600 -7.075 603 1HG ARG 75 2HG ARG 75 -2.478 8.890 -5.545 604 2HG ARG 75 1HG ARG 75 -2.174 7.526 -4.468 605 1HD ARG 75 2HD ARG 75 -0.085 8.281 -5.544 606 2HD ARG 75 1HD ARG 75 -0.499 6.643 -6.047 607 HE ARG 75 HE ARG 75 -0.535 9.036 -7.754 608 1HH1 ARG 75 1HH2 ARG 75 -2.830 8.330 -8.923 609 2HH1 ARG 75 2HH2 ARG 75 -2.566 6.887 -9.844 610 1HH2 ARG 75 2HH1 ARG 75 0.380 6.066 -8.209 611 2HH2 ARG 75 1HH1 ARG 75 -0.748 5.606 -9.439 612 H GLU 76 H GLU 76 -4.861 4.446 -6.797 613 HA GLU 76 HA GLU 76 -7.025 5.496 -8.340 614 1HB GLU 76 2HB GLU 76 -5.945 2.818 -7.696 615 2HB GLU 76 1HB GLU 76 -7.640 2.851 -8.177 616 1HG GLU 76 2HG GLU 76 -7.145 3.849 -10.264 617 2HG GLU 76 1HG GLU 76 -5.521 4.307 -9.750 618 H ALA 77 H ALA 77 -6.839 4.429 -5.079 619 HA ALA 77 HA ALA 77 -9.712 3.959 -4.758 620 1HB ALA 77 2HB ALA 77 -7.936 2.781 -3.395 621 2HB ALA 77 1HB ALA 77 -7.570 4.326 -2.623 622 3HB ALA 77 3HB ALA 77 -9.158 3.585 -2.412 623 H LYS 78 H LYS 78 -7.410 6.415 -3.507 624 HA LYS 78 HA LYS 78 -9.529 8.107 -2.536 625 1HB LYS 78 2HB LYS 78 -7.770 9.058 -1.524 626 2HB LYS 78 1HB LYS 78 -6.669 8.075 -2.485 627 1HG LYS 78 2HG LYS 78 -7.868 10.691 -3.446 628 2HG LYS 78 1HG LYS 78 -6.283 10.559 -2.683 629 1HD LYS 78 2HD LYS 78 -6.749 8.655 -4.891 630 2HD LYS 78 1HD LYS 78 -6.700 10.350 -5.375 631 1HE LYS 78 2HE LYS 78 -4.596 9.168 -3.562 632 2HE LYS 78 1HE LYS 78 -4.454 9.082 -5.318 633 1HZ LYS 78 1HZ LYS 78 -4.998 11.620 -5.113 634 2HZ LYS 78 3HZ LYS 78 -4.358 11.420 -3.555 635 3HZ LYS 78 2HZ LYS 78 -3.411 11.050 -4.915 636 H ALA 79 H ALA 79 -8.499 7.363 -5.643 637 HA ALA 79 HA ALA 79 -9.238 9.979 -6.821 638 1HB ALA 79 2HB ALA 79 -7.367 8.214 -7.603 639 2HB ALA 79 1HB ALA 79 -8.744 7.552 -8.493 640 3HB ALA 79 3HB ALA 79 -8.233 9.221 -8.763 641 H GLU 80 H GLU 80 -10.041 6.625 -7.592 642 HA GLU 80 HA GLU 80 -12.405 7.064 -8.980 643 1HB GLU 80 2HB GLU 80 -11.889 4.744 -7.100 644 2HB GLU 80 1HB GLU 80 -12.943 4.765 -8.510 645 1HG GLU 80 2HG GLU 80 -10.212 5.612 -9.128 646 2HG GLU 80 1HG GLU 80 -10.308 3.956 -8.528 647 H GLY 81 H GLY 81 -12.230 6.213 -5.466 648 1HA GLY 81 2HA GLY 81 -14.377 8.138 -4.926 649 2HA GLY 81 1HA GLY 81 -14.908 6.458 -4.817 650 H ALA 82 H ALA 82 -12.486 5.381 -3.739 651 HA ALA 82 HA ALA 82 -12.856 5.416 -1.034 652 1HB ALA 82 1HB ALA 82 -10.837 4.511 -2.710 653 2HB ALA 82 3HB ALA 82 -9.999 5.608 -1.610 654 3HB ALA 82 2HB ALA 82 -10.926 4.250 -0.968 655 H ASP 83 H ASP 83 -11.814 6.531 0.751 656 HA ASP 83 HA ASP 83 -11.150 9.377 0.108 657 1HB ASP 83 2HB ASP 83 -12.716 8.088 2.303 658 2HB ASP 83 1HB ASP 83 -11.727 9.483 2.737 659 H ILE 84 H ILE 84 -9.039 7.957 -0.281 660 HA ILE 84 HA ILE 84 -7.580 7.590 2.286 661 HB ILE 84 HB ILE 84 -6.994 6.649 -0.532 662 1HG1 ILE 84 2HG1 ILE 84 -7.408 4.836 1.780 663 2HG1 ILE 84 1HG1 ILE 84 -8.831 5.641 1.128 664 1HG2 ILE 84 2HG2 ILE 84 -5.010 7.205 1.081 665 2HG2 ILE 84 1HG2 ILE 84 -5.541 5.769 1.955 666 3HG2 ILE 84 3HG2 ILE 84 -5.031 5.639 0.272 667 1HD1 ILE 84 2HD1 ILE 84 -6.864 4.287 -0.698 668 2HD1 ILE 84 1HD1 ILE 84 -8.124 3.354 0.107 669 3HD1 ILE 84 3HD1 ILE 84 -8.560 4.667 -0.983 670 H THR 85 H THR 85 -6.323 9.302 2.880 671 HA THR 85 HA THR 85 -5.429 11.263 0.902 672 HB THR 85 HB THR 85 -4.672 10.950 3.830 673 HG1 THR 85 HG1 THR 85 -6.194 12.807 3.903 674 1HG2 THR 85 1HG2 THR 85 -3.902 12.818 1.688 675 2HG2 THR 85 3HG2 THR 85 -4.451 13.605 3.168 676 3HG2 THR 85 2HG2 THR 85 -3.101 12.471 3.222 677 H ILE 86 H ILE 86 -4.019 10.194 -0.507 678 HA ILE 86 HA ILE 86 -1.923 8.445 0.502 679 HB ILE 86 HB ILE 86 -3.042 9.152 -2.087 680 1HG1 ILE 86 2HG1 ILE 86 -2.211 6.933 -2.669 681 2HG1 ILE 86 1HG1 ILE 86 -1.170 6.926 -1.250 682 1HG2 ILE 86 3HG2 ILE 86 -0.809 10.378 -2.242 683 2HG2 ILE 86 2HG2 ILE 86 -0.035 8.799 -2.075 684 3HG2 ILE 86 1HG2 ILE 86 -1.077 9.130 -3.460 685 1HD1 ILE 86 1HD1 ILE 86 -3.550 7.427 -0.064 686 2HD1 ILE 86 3HD1 ILE 86 -4.094 6.483 -1.453 687 3HD1 ILE 86 2HD1 ILE 86 -2.927 5.792 -0.318 688 H ILE 87 H ILE 87 0.080 9.055 1.155 689 HA ILE 87 HA ILE 87 0.714 11.940 1.096 690 HB ILE 87 HB ILE 87 2.031 9.559 2.414 691 1HG1 ILE 87 2HG1 ILE 87 -0.092 10.486 3.379 692 2HG1 ILE 87 1HG1 ILE 87 1.290 10.649 4.463 693 1HG2 ILE 87 3HG2 ILE 87 3.235 12.032 1.637 694 2HG2 ILE 87 2HG2 ILE 87 3.038 12.050 3.389 695 3HG2 ILE 87 1HG2 ILE 87 3.933 10.742 2.615 696 1HD1 ILE 87 1HD1 ILE 87 1.617 12.980 3.490 697 2HD1 ILE 87 3HD1 ILE 87 0.037 12.788 2.731 698 3HD1 ILE 87 2HD1 ILE 87 0.179 12.767 4.489 699 H LEU 88 H LEU 88 2.945 9.200 0.623 700 HA LEU 88 HA LEU 88 4.533 8.816 -1.064 701 1HB LEU 88 2HB LEU 88 2.358 10.266 -2.414 702 2HB LEU 88 1HB LEU 88 3.934 10.480 -3.178 703 HG LEU 88 HG LEU 88 2.617 7.835 -2.504 704 1HD1 LEU 88 1HD1 LEU 88 2.329 9.560 -4.723 705 2HD1 LEU 88 3HD1 LEU 88 3.370 8.244 -5.264 706 3HD1 LEU 88 2HD1 LEU 88 1.777 7.890 -4.594 707 1HD2 LEU 88 1HD2 LEU 88 5.374 8.537 -2.861 708 2HD2 LEU 88 3HD2 LEU 88 4.679 6.934 -2.622 709 3HD2 LEU 88 2HD2 LEU 88 4.859 7.584 -4.252 710 H SER 89 HN SER 89 4.829 10.961 0.957 711 HA SER 89 HA SER 89 7.234 12.147 0.001 712 1HB SER 89 2HB SER 89 5.420 13.407 -1.351 713 2HB SER 89 1HB SER 89 5.014 14.185 0.179 714 HG SER 89 HG SER 89 6.585 15.477 -0.402 No H/Q in entry = 714
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